3-amino-N-(2,4,4-trimethylcyclohexyl)butanamide;hydrochloride

C13H27ClN2O — CID 119819050

IUPAC3-amino-N-(2,4,4-trimethylcyclohexyl)butanamide;hydrochloride
SMILESCC(N)CC(=O)NC1CCC(C)(C)CC1C.Cl
InChIInChI=1S/C13H26N2O.ClH/c1-9-8-13(3,4)6-5-11(9)15-12(16)7-10(2)14;/h9-11H,5-8,14H2,1-4H3,(H,15,16);1H
InChIKeyXYAFEWSBUYNXQV-UHFFFAOYSA-N
MW262.82 g/mol
LogP2.48
Rot. Bonds3

About 3-amino-N-(2,4,4-trimethylcyclohexyl)butanamide;hydrochloride

3-amino-N-(2,4,4-trimethylcyclohexyl)butanamide;hydrochloride (PubChem CID 119819050) has the molecular formula C13H27ClN2O and a molecular weight of 262.82 g/mol. Its IUPAC name is 3-amino-N-(2,4,4-trimethylcyclohexyl)butanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(2,4,4-trimethylcyclohexyl)butanamide;hydrochloride
PubChem CID119819050
Molecular FormulaC13H27ClN2O
Molecular Weight262.82 g/mol
Exact Mass262.18
IUPAC Name3-amino-N-(2,4,4-trimethylcyclohexyl)butanamide;hydrochloride
SMILESCC(N)CC(=O)NC1CCC(C)(C)CC1C.Cl
InChIInChI=1S/C13H26N2O.ClH/c1-9-8-13(3,4)6-5-11(9)15-12(16)7-10(2)14;/h9-11H,5-8,14H2,1-4H3,(H,15,16);1H
InChIKeyXYAFEWSBUYNXQV-UHFFFAOYSA-N
XLogP2.48
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.82
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-amino-N-(2,4,4-trimethylcyclohexyl)butanamide;hydrochloride 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

3-amino-N-(2,4,4-trimethylcyclohexyl)butanamide
CID 119819051
(2R)-2-amino-N-(2,4,4-trimethylcyclohexyl)propanamide;hydrochloride
CID 119343794
N-[(1S,2R)-2,4,4-trimethylcyclohexyl]acetamide
CID 162401417
1-(1-hydroxypropan-2-yl)-3-(2,4,4-trimethylcyclohexyl)urea
CID 111751169
2-[(2,4,4-trimethylcyclohexyl)amino]propanoic acid
CID 81321434
2-[(2,4,4-trimethylcyclohexyl)amino]oxyacetamide
CID 112673312
3-amino-N-(5-methyl-2-propan-2-ylcyclohexyl)butanamide;hydrochloride
CID 119750943
(2S)-2-[(2,4,4-trimethylcyclohexyl)amino]propan-1-ol
CID 103789174
2-[(2,4,4-trimethylcyclohexyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 119187245
3-amino-N-(4-methylcyclohexyl)butanamide
CID 60835833
(3S)-3-amino-N-cyclobutylbutanamide
CID 94423965
3-amino-N-(2-methyloxan-4-yl)butanamide;hydrochloride
CID 120873943

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,4,4-trimethylcyclohexyl)butanamide;hydrochloride?
The IUPAC name of 3-amino-N-(2,4,4-trimethylcyclohexyl)butanamide;hydrochloride (CID 119819050) is 3-amino-N-(2,4,4-trimethylcyclohexyl)butanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(2,4,4-trimethylcyclohexyl)butanamide;hydrochloride?
The canonical SMILES for 3-amino-N-(2,4,4-trimethylcyclohexyl)butanamide;hydrochloride is CC(N)CC(=O)NC1CCC(C)(C)CC1C.Cl.
What is the InChIKey of 3-amino-N-(2,4,4-trimethylcyclohexyl)butanamide;hydrochloride?
The InChIKey is XYAFEWSBUYNXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O.ClH/c1-9-8-13(3,4)6-5-11(9)15-12(16)7-10(2)14;/h9-11H,5-8,14H2,1-4H3,(H,15,16);1H.
What are the key properties of 3-amino-N-(2,4,4-trimethylcyclohexyl)butanamide;hydrochloride?
3-amino-N-(2,4,4-trimethylcyclohexyl)butanamide;hydrochloride has a molecular weight of 262.82 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,4,4-trimethylcyclohexyl)butanamide;hydrochloride is sourced from PubChem (CID 119819050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).