Chemical Components in the PDB

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UV9 : Summary

Code

UV9

One-letter code

X

Molecule name

1-amino-4,4-dimethylcyclohexane-1-carboxamide

Systematic names

ProgramVersionName
ACDLabs 12.01 1-amino-4,4-dimethylcyclohexane-1-carboxamide
OpenEye OEToolkits 2.0.7 1-azanyl-4,4-dimethyl-cyclohexane-1-carboxamide

Formula

C9 H18 N2 O

Formal charge

0

Molecular weight

170.252 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(N)C1(N)CCC(C)(C)CC1
SMILES CACTVS 3.385 CC1(C)CCC(N)(CC1)C(N)=O
SMILES OpenEye OEToolkits 2.0.7 CC1(CCC(CC1)(C(=O)N)N)C
Canonical SMILES CACTVS 3.385 CC1(C)CCC(N)(CC1)C(N)=O
Canonical SMILES OpenEye OEToolkits 2.0.7 CC1(CCC(CC1)(C(=O)N)N)C

IUPAC InChI

InChI=1S/C9H18N2O/c1-8(2)3-5-9(11,6-4-8)7(10)12/h3-6,11H2,1-2H3,(H2,10,12)

IUPAC InChI key

SCEKEGZXSWOPCH-UHFFFAOYSA-N
UV9

wwPDB Information

Atom count

30 (12 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2022-08-26

Last modified at

2022-10-28

Status

Released

Obsoleted

Not Assigned