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2G3 : Summary

Code

2G3

One-letter code

X

Molecule name

3,3-dimethylbutan-1-amine

Systematic names

ProgramVersionName
ACDLabs 12.01 3,3-dimethylbutan-1-amine
OpenEye OEToolkits 1.7.6 3,3-dimethylbutan-1-amine

Formula

C6 H15 N

Formal charge

0

Molecular weight

101.19 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 NCCC(C)(C)C
SMILES CACTVS 3.385 CC(C)(C)CCN
SMILES OpenEye OEToolkits 1.7.6 CC(C)(C)CCN
Canonical SMILES CACTVS 3.385 CC(C)(C)CCN
Canonical SMILES OpenEye OEToolkits 1.7.6 CC(C)(C)CCN

IUPAC InChI

InChI=1S/C6H15N/c1-6(2,3)4-5-7/h4-5,7H2,1-3H3

IUPAC InChI key

GPWHFPWZAPOYNO-UHFFFAOYSA-N
2G3

wwPDB Information

Atom count

22 (7 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2013-10-11

Last modified at

2014-03-28

Status

Released

Obsoleted

Not Assigned