(1S)-2,2-dimethylcyclohexane-1-carboxamide

C9H17NO — CID 90019535

IUPAC(1S)-2,2-dimethylcyclohexane-1-carboxamide
SMILESCC1(C)CCCC[C@@H]1C(N)=O
InChIInChI=1S/C9H17NO/c1-9(2)6-4-3-5-7(9)8(10)11/h7H,3-6H2,1-2H3,(H2,10,11)/t7-/m1/s1
InChIKeyPELGOGLGESFOKA-SSDOTTSWSA-N
MW155.24 g/mol
LogP1.69
Rot. Bonds1

About (1S)-2,2-dimethylcyclohexane-1-carboxamide

(1S)-2,2-dimethylcyclohexane-1-carboxamide (PubChem CID 90019535) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (1S)-2,2-dimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name(1S)-2,2-dimethylcyclohexane-1-carboxamide
PubChem CID90019535
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(1S)-2,2-dimethylcyclohexane-1-carboxamide
SMILESCC1(C)CCCC[C@@H]1C(N)=O
InChIInChI=1S/C9H17NO/c1-9(2)6-4-3-5-7(9)8(10)11/h7H,3-6H2,1-2H3,(H2,10,11)/t7-/m1/s1
InChIKeyPELGOGLGESFOKA-SSDOTTSWSA-N
XLogP1.69
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1S)-2,2-dimethylcyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-carbamoyl-1-methylcyclohexane-1-carboxylic acid
CID 151708609
N,N,2,2-tetramethylcyclohexane-1-carboxamide
CID 107180263
cyclopentyl-(2,2-dimethylcyclohexyl)methanone
CID 107186605
N'-amino-2,2-dimethylcyclohexane-1-carboximidamide
CID 107183066
N-hydroxy-2,2-dimethylcyclohexane-1-carboxamide
CID 87324456
N-(2-amino-2-oxoethoxy)-2,2-dimethylcyclohexane-1-carboxamide
CID 107180286
(2,2-dimethylcyclohexyl)-(2,3,4,5,6-pentamethylphenyl)methanone
CID 107176215
N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]-2,2-dimethylcyclohexane-1-carboxamide
CID 107182731
(2,2-dimethylcyclohexyl)-(2-ethylcyclohexyl)methanone
CID 107186989
cycloheptyl-(2,2-dimethylcyclopentyl)methanone
CID 107187376
4-hydroxy-2,2,4-trimethylcyclohexane-1-carboxamide
CID 90243249
2,2-dimethyl-N-(2-sulfamoylethyl)cyclohexane-1-carboxamide
CID 107182865

Frequently Asked Questions

What is the IUPAC name of (1S)-2,2-dimethylcyclohexane-1-carboxamide?
The IUPAC name of (1S)-2,2-dimethylcyclohexane-1-carboxamide (CID 90019535) is (1S)-2,2-dimethylcyclohexane-1-carboxamide.
What is the SMILES notation for (1S)-2,2-dimethylcyclohexane-1-carboxamide?
The canonical SMILES for (1S)-2,2-dimethylcyclohexane-1-carboxamide is CC1(C)CCCC[C@@H]1C(N)=O.
What is the InChIKey of (1S)-2,2-dimethylcyclohexane-1-carboxamide?
The InChIKey is PELGOGLGESFOKA-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H17NO/c1-9(2)6-4-3-5-7(9)8(10)11/h7H,3-6H2,1-2H3,(H2,10,11)/t7-/m1/s1.
What are the key properties of (1S)-2,2-dimethylcyclohexane-1-carboxamide?
(1S)-2,2-dimethylcyclohexane-1-carboxamide has a molecular weight of 155.24 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,2-dimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 90019535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).