Chemical Components in the PDB

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7CD : Summary

Code

7CD

One-letter code

X

Molecule name

1-(naphthalen-1-yl)methanamine

Systematic names

ProgramVersionName
ACDLabs 12.01 1-(naphthalen-1-yl)methanamine
OpenEye OEToolkits 2.0.6 naphthalen-1-ylmethanamine

Formula

C11 H11 N

Formal charge

0

Molecular weight

157.212 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 c1ccc(c2c1cccc2)CN
SMILES CACTVS 3.385 NCc1cccc2ccccc12
SMILES OpenEye OEToolkits 2.0.6 c1ccc2c(c1)cccc2CN
Canonical SMILES CACTVS 3.385 NCc1cccc2ccccc12
Canonical SMILES OpenEye OEToolkits 2.0.6 c1ccc2c(c1)cccc2CN

IUPAC InChI

InChI=1S/C11H11N/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8,12H2

IUPAC InChI key

NVSYANRBXPURRQ-UHFFFAOYSA-N

Is part of

7J1 , 7J0 , 7HZ , 7HJ , 7HY
7CD

wwPDB Information

Atom count

23 (12 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2016-10-03

Last modified at

2017-01-06

Status

Released

Obsoleted

Not Assigned