Chemical Components in the PDB

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LG5 : Summary

Code

LG5

One-letter code

X

Molecule name

1-METHYL-1,6-DIHYDROPYRIDIN-3-AMINE

Systematic names

ProgramVersionName
ACDLabs 10.04 1-methyl-1,6-dihydropyridin-3-amine
OpenEye OEToolkits 1.5.0 1-methyl-6H-pyridin-3-amine

Formula

C6 H10 N2

Formal charge

0

Molecular weight

110.157 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 NC=1C=CCN(C=1)C
SMILES CACTVS 3.341 CN1CC=CC(=C1)N
SMILES OpenEye OEToolkits 1.5.0 CN1CC=CC(=C1)N
Canonical SMILES CACTVS 3.341 CN1CC=CC(=C1)N
Canonical SMILES OpenEye OEToolkits 1.5.0 CN1CC=CC(=C1)N

IUPAC InChI

InChI=1S/C6H10N2/c1-8-4-2-3-6(7)5-8/h2-3,5H,4,7H2,1H3

IUPAC InChI key

NJIDBKRVRJXCLL-UHFFFAOYSA-N
LG5

wwPDB Information

Atom count

18 (8 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2005-11-10

Last modified at

2021-03-01

Status

Released

Obsoleted

Not Assigned