Chemical Components in the PDB

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8YU : Summary

Code

8YU

One-letter code

X

Molecule name

(2,6-dimethylphenyl)methanamine

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 (2,6-dimethylphenyl)methanamine

Formula

C9 H13 N

Formal charge

0

Molecular weight

135.206 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Cc1cccc(C)c1CN
SMILES OpenEye OEToolkits 2.0.6 Cc1cccc(c1CN)C
Canonical SMILES CACTVS 3.385 Cc1cccc(C)c1CN
Canonical SMILES OpenEye OEToolkits 2.0.6 Cc1cccc(c1CN)C

IUPAC InChI

InChI=1S/C9H13N/c1-7-4-3-5-8(2)9(7)6-10/h3-5H,6,10H2,1-2H3

IUPAC InChI key

ZFDBHFFKSQCNML-UHFFFAOYSA-N

Is part of

8Z0
8YU

wwPDB Information

Atom count

23 (10 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2017-11-09

Last modified at

2018-07-06

Status

Released

Obsoleted

Not Assigned