2-amino-N-(cyclohexylmethyl)-N,3-dimethylbutanamide;hydrochloride

C13H27ClN2O — CID 119279206

IUPAC2-amino-N-(cyclohexylmethyl)-N,3-dimethylbutanamide;hydrochloride
SMILESCC(C)C(N)C(=O)N(C)CC1CCCCC1.Cl
InChIInChI=1S/C13H26N2O.ClH/c1-10(2)12(14)13(16)15(3)9-11-7-5-4-6-8-11;/h10-12H,4-9,14H2,1-3H3;1H
InChIKeyNQVBWJJRBISNSW-UHFFFAOYSA-N
MW262.82 g/mol
LogP2.43
Rot. Bonds4

About 2-amino-N-(cyclohexylmethyl)-N,3-dimethylbutanamide;hydrochloride

2-amino-N-(cyclohexylmethyl)-N,3-dimethylbutanamide;hydrochloride (PubChem CID 119279206) has the molecular formula C13H27ClN2O and a molecular weight of 262.82 g/mol. Its IUPAC name is 2-amino-N-(cyclohexylmethyl)-N,3-dimethylbutanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(cyclohexylmethyl)-N,3-dimethylbutanamide;hydrochloride
PubChem CID119279206
Molecular FormulaC13H27ClN2O
Molecular Weight262.82 g/mol
Exact Mass262.18
IUPAC Name2-amino-N-(cyclohexylmethyl)-N,3-dimethylbutanamide;hydrochloride
SMILESCC(C)C(N)C(=O)N(C)CC1CCCCC1.Cl
InChIInChI=1S/C13H26N2O.ClH/c1-10(2)12(14)13(16)15(3)9-11-7-5-4-6-8-11;/h10-12H,4-9,14H2,1-3H3;1H
InChIKeyNQVBWJJRBISNSW-UHFFFAOYSA-N
XLogP2.43
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.82
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-amino-N-(cyclohexylmethyl)-N,3-dimethylbutanamide;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

(2R)-2-amino-N-(cyclopropylmethyl)-N,3-dimethylbutanamide
CID 79013234
(2S,3S)-2-amino-N-(cyclohexylmethyl)-N,3-dimethylpentanamide
CID 61162838
(2S)-2-amino-N-(cyclohexylmethyl)-N,3,3-trimethylbutanamide;hydrochloride
CID 119704436
2-amino-N-(cyclobutylmethyl)-N,3-dimethylpentanamide
CID 62862218
(2S)-2-amino-N-(cyclopentylmethyl)-N,4-dimethylpentanamide;hydrochloride
CID 119759252
2-amino-N-(cyclopentylmethyl)-N,4-dimethylpentanamide
CID 63654905
(2S)-2-amino-N-(cyclohexylmethyl)-N-methylpentanamide
CID 107568999
3-amino-N-(cyclohexylmethyl)-N-methylbutanamide
CID 60963947
N-(cyclohexylmethyl)-2-methoxy-N-methylpropanamide
CID 112685953
(2S)-2-amino-N,3-dimethyl-N-[[(2R)-1-methylpiperidin-2-yl]methyl]butanamide
CID 96553466
(2S)-2-amino-N,3-dimethyl-N-[(1-methylpiperidin-2-yl)methyl]butanamide
CID 66565934
4-[cyclopentylmethyl(methyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103498428

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(cyclohexylmethyl)-N,3-dimethylbutanamide;hydrochloride?
The IUPAC name of 2-amino-N-(cyclohexylmethyl)-N,3-dimethylbutanamide;hydrochloride (CID 119279206) is 2-amino-N-(cyclohexylmethyl)-N,3-dimethylbutanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(cyclohexylmethyl)-N,3-dimethylbutanamide;hydrochloride?
The canonical SMILES for 2-amino-N-(cyclohexylmethyl)-N,3-dimethylbutanamide;hydrochloride is CC(C)C(N)C(=O)N(C)CC1CCCCC1.Cl.
What is the InChIKey of 2-amino-N-(cyclohexylmethyl)-N,3-dimethylbutanamide;hydrochloride?
The InChIKey is NQVBWJJRBISNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O.ClH/c1-10(2)12(14)13(16)15(3)9-11-7-5-4-6-8-11;/h10-12H,4-9,14H2,1-3H3;1H.
What are the key properties of 2-amino-N-(cyclohexylmethyl)-N,3-dimethylbutanamide;hydrochloride?
2-amino-N-(cyclohexylmethyl)-N,3-dimethylbutanamide;hydrochloride has a molecular weight of 262.82 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(cyclohexylmethyl)-N,3-dimethylbutanamide;hydrochloride is sourced from PubChem (CID 119279206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).