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O6I : Summary
Code
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O6I
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One-letter code
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X
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Molecule name
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6-[4-(dimethylamino)butyl]-4-methylpyridin-2-amine
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Systematic names
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Formula
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C12 H21 N3
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Formal charge
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0
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Molecular weight
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207.315 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
Cc1cc(CCCCN(C)C)nc(N)c1 |
SMILES
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CACTVS |
3.385 |
CN(C)CCCCc1cc(C)cc(N)n1 |
SMILES
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OpenEye OEToolkits |
2.0.7 |
Cc1cc(nc(c1)N)CCCCN(C)C |
Canonical SMILES
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CACTVS |
3.385 |
CN(C)CCCCc1cc(C)cc(N)n1 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
Cc1cc(nc(c1)N)CCCCN(C)C |
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IUPAC InChI | InChI=1S/C12H21N3/c1-10-8-11(14-12(13)9-10)6-4-5-7-15(2)3/h8-9H,4-7H2,1-3H3,(H2,13,14) |
IUPAC InChI key | DBXKFDZMVGIZFJ-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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36 (15 without Hydrogen)
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Polymer type
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Bound ligand
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Type description
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non-polymer
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Type code
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HETAIN
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Is modified
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No
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Standard parent
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Not Assigned
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Defined at
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2022-04-25
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Last modified at
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2022-07-08
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Status
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Released
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Obsoleted
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Not Assigned
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