Chemical Components in the PDB

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SVJ : Summary

Code

SVJ

One-letter code

X

Molecule name

(1~{S},5~{R})-8-methyl-8-azabicyclo[3.2.1]octan-3-amine

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 (1~{S},5~{R})-8-methyl-8-azabicyclo[3.2.1]octan-3-amine

Formula

C8 H16 N2

Formal charge

0

Molecular weight

140.226 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CN1[CH]2CC[CH]1C[CH](N)C2
SMILES OpenEye OEToolkits 2.0.6 CN1C2CCC1CC(C2)N
Canonical SMILES CACTVS 3.385 CN1[C@H]2CC[C@@H]1C[C@H](N)C2
Canonical SMILES OpenEye OEToolkits 2.0.6 CN1[C@@H]2CC[C@H]1CC(C2)N

IUPAC InChI

InChI=1S/C8H16N2/c1-10-7-2-3-8(10)5-6(9)4-7/h6-8H,2-5,9H2,1H3/t6-,7+,8-

IUPAC InChI key

HJGMRAKQWLKWMH-RNLVFQAGSA-N
SVJ

wwPDB Information

Atom count

26 (10 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-03-11

Last modified at

2020-07-17

Status

Released

Obsoleted

Not Assigned