(2S)-2-amino-N-(cyclohexylmethyl)-N,3,3-trimethylbutanamide;hydrochloride

C14H29ClN2O — CID 119704436

IUPAC(2S)-2-amino-N-(cyclohexylmethyl)-N,3,3-trimethylbutanamide;hydrochloride
SMILESCN(CC1CCCCC1)C(=O)[C@@H](N)C(C)(C)C.Cl
InChIInChI=1S/C14H28N2O.ClH/c1-14(2,3)12(15)13(17)16(4)10-11-8-6-5-7-9-11;/h11-12H,5-10,15H2,1-4H3;1H/t12-;/m1./s1
InChIKeyZPXLDJQGVKWHQD-UTONKHPSSA-N
MW276.85 g/mol
LogP2.82
Rot. Bonds3

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

(2S)-2-amino-N-(cyclohexylmethyl)-N,3,3-trimethylbutanamide;hydrochloride (PubChem CID 119704436) has the molecular formula C14H29ClN2O and a molecular weight of 276.85 g/mol. Its IUPAC name is (2S)-2-amino-N-(cyclohexylmethyl)-N,3,3-trimethylbutanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-(cyclohexylmethyl)-N,3,3-trimethylbutanamide;hydrochloride
PubChem CID119704436
Molecular FormulaC14H29ClN2O
Molecular Weight276.85 g/mol
Exact Mass276.20
IUPAC Name(2S)-2-amino-N-(cyclohexylmethyl)-N,3,3-trimethylbutanamide;hydrochloride
SMILESCN(CC1CCCCC1)C(=O)[C@@H](N)C(C)(C)C.Cl
InChIInChI=1S/C14H28N2O.ClH/c1-14(2,3)12(15)13(17)16(4)10-11-8-6-5-7-9-11;/h11-12H,5-10,15H2,1-4H3;1H/t12-;/m1./s1
InChIKeyZPXLDJQGVKWHQD-UTONKHPSSA-N
XLogP2.82
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.85
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-2-amino-N-(cyclohexylmethyl)-N,3,3-trimethylbutanamide;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

(2S)-2-amino-N,3,3-trimethyl-N-[(1-methylpiperidin-3-yl)methyl]butanamide;dihydrochloride
CID 119855588
2-amino-N-(cyclohexylmethyl)-N,3-dimethylbutanamide;hydrochloride
CID 119279206
2-amino-N,3,3-trimethyl-N-[(1-methylpiperidin-4-yl)methyl]butanamide
CID 76988468
(2S)-2-amino-N,3,3-trimethyl-N-(oxolan-2-ylmethyl)butanamide;hydrochloride
CID 119708785
(2S)-2-amino-N-(cyclopentylmethyl)-N,4-dimethylpentanamide;hydrochloride
CID 119759252
(2S)-2-amino-N-(cyclohexylmethyl)-N-methylpentanamide
CID 107568999
3-amino-N-(cyclohexylmethyl)-N,2,2,3-tetramethylbutanamide
CID 65269620
(2S,3S)-2-amino-N-(cyclohexylmethyl)-N,3-dimethylpentanamide
CID 61162838
2-amino-N-(cyclopentylmethyl)-N,4-dimethylpentanamide
CID 63654905
(2S)-2-amino-N-(cyclooctylmethyl)-3,3-dimethylbutanamide;hydrochloride
CID 119741871
2-amino-N-cyclopentyl-N,3,3-trimethylbutanamide
CID 76893337
(2R)-2-amino-N-(cyclopropylmethyl)-N,3-dimethylbutanamide
CID 79013234

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(cyclohexylmethyl)-N,3,3-trimethylbutanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-(cyclohexylmethyl)-N,3,3-trimethylbutanamide;hydrochloride (CID 119704436) is (2S)-2-amino-N-(cyclohexylmethyl)-N,3,3-trimethylbutanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-(cyclohexylmethyl)-N,3,3-trimethylbutanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-(cyclohexylmethyl)-N,3,3-trimethylbutanamide;hydrochloride is CN(CC1CCCCC1)C(=O)[C@@H](N)C(C)(C)C.Cl.
What is the InChIKey of (2S)-2-amino-N-(cyclohexylmethyl)-N,3,3-trimethylbutanamide;hydrochloride?
The InChIKey is ZPXLDJQGVKWHQD-UTONKHPSSA-N. The full InChI is InChI=1S/C14H28N2O.ClH/c1-14(2,3)12(15)13(17)16(4)10-11-8-6-5-7-9-11;/h11-12H,5-10,15H2,1-4H3;1H/t12-;/m1./s1.
What are the key properties of (2S)-2-amino-N-(cyclohexylmethyl)-N,3,3-trimethylbutanamide;hydrochloride?
(2S)-2-amino-N-(cyclohexylmethyl)-N,3,3-trimethylbutanamide;hydrochloride has a molecular weight of 276.85 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(cyclohexylmethyl)-N,3,3-trimethylbutanamide;hydrochloride is sourced from PubChem (CID 119704436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).