Chemical Components in the PDB

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R9W : Summary

Code

R9W

One-letter code

X

Molecule name

2,3,5,6,7,8-hexahydro-1~{H}-cyclopenta[b]quinolin-9-amine

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 2,3,5,6,7,8-hexahydro-1~{H}-cyclopenta[b]quinolin-9-amine

Formula

C12 H16 N2

Formal charge

0

Molecular weight

188.269 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Nc1c2CCCCc2nc3CCCc13
SMILES OpenEye OEToolkits 2.0.7 C1CCc2c(c(c3c(n2)CCC3)N)C1
Canonical SMILES CACTVS 3.385 Nc1c2CCCCc2nc3CCCc13
Canonical SMILES OpenEye OEToolkits 2.0.7 C1CCc2c(c(c3c(n2)CCC3)N)C1

IUPAC InChI

InChI=1S/C12H16N2/c13-12-8-4-1-2-6-10(8)14-11-7-3-5-9(11)12/h1-7H2,(H2,13,14)

IUPAC InChI key

YLUSMKAJIQOXPV-UHFFFAOYSA-N
R9W

wwPDB Information

Atom count

30 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-09-21

Last modified at

2020-11-27

Status

Released

Obsoleted

Not Assigned