N-(1-amino-4-methylpentan-2-yl)-3,3-dimethylbutanamide;hydrochloride

C12H27ClN2O — CID 119585818

IUPACN-(1-amino-4-methylpentan-2-yl)-3,3-dimethylbutanamide;hydrochloride
SMILESCC(C)CC(CN)NC(=O)CC(C)(C)C.Cl
InChIInChI=1S/C12H26N2O.ClH/c1-9(2)6-10(8-13)14-11(15)7-12(3,4)5;/h9-10H,6-8,13H2,1-5H3,(H,14,15);1H
InChIKeyABPVHYKAPNJGSS-UHFFFAOYSA-N
MW250.81 g/mol
LogP2.33
Rot. Bonds5

About N-(1-amino-4-methylpentan-2-yl)-3,3-dimethylbutanamide;hydrochloride

N-(1-amino-4-methylpentan-2-yl)-3,3-dimethylbutanamide;hydrochloride (PubChem CID 119585818) has the molecular formula C12H27ClN2O and a molecular weight of 250.81 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-3,3-dimethylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-3,3-dimethylbutanamide;hydrochloride
PubChem CID119585818
Molecular FormulaC12H27ClN2O
Molecular Weight250.81 g/mol
Exact Mass250.18
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-3,3-dimethylbutanamide;hydrochloride
SMILESCC(C)CC(CN)NC(=O)CC(C)(C)C.Cl
InChIInChI=1S/C12H26N2O.ClH/c1-9(2)6-10(8-13)14-11(15)7-12(3,4)5;/h9-10H,6-8,13H2,1-5H3,(H,14,15);1H
InChIKeyABPVHYKAPNJGSS-UHFFFAOYSA-N
XLogP2.33
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.81
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(1-amino-4-methylpentan-2-yl)-3,3-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

N-(1-amino-4-methylpentan-2-yl)-2-tert-butylsulfanylacetamide
CID 63888731
N-(1-amino-4-methylpentan-2-yl)-4,4,4-trifluorobutanamide;hydrochloride
CID 119588676
(1-amino-4-methylpentan-2-yl)carbamic acid
CID 19820731
methyl (2S)-2-(3,3-dimethylbutanoylamino)-4-methylpentanoate
CID 22872263
methyl 2-(3,3-dimethylbutanoylamino)-4-methylpentanoate
CID 19957218
N-(1-amino-4-methylpentan-2-yl)-4-cyclopentylbutanamide;hydrochloride
CID 119588873
N-(1-amino-4-methylpentan-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103310367
N-(1-amino-4-methylpentan-2-yl)-2-(cyclopropylmethoxy)acetamide;hydrochloride
CID 119588691
N-(1-amino-4-methylpentan-2-yl)-2-cyclopentylacetamide
CID 63753245
ethyl N-[(2S)-1-amino-4-methylpentan-2-yl]carbamate
CID 39869686
ethyl N-(1-amino-4-methylpentan-2-yl)carbamate
CID 43810663
N-(1-amino-4-methylpentan-2-yl)-2-(cyclopropylmethylamino)acetamide
CID 122080607

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-3,3-dimethylbutanamide;hydrochloride?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-3,3-dimethylbutanamide;hydrochloride (CID 119585818) is N-(1-amino-4-methylpentan-2-yl)-3,3-dimethylbutanamide;hydrochloride.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-3,3-dimethylbutanamide;hydrochloride?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-3,3-dimethylbutanamide;hydrochloride is CC(C)CC(CN)NC(=O)CC(C)(C)C.Cl.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-3,3-dimethylbutanamide;hydrochloride?
The InChIKey is ABPVHYKAPNJGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O.ClH/c1-9(2)6-10(8-13)14-11(15)7-12(3,4)5;/h9-10H,6-8,13H2,1-5H3,(H,14,15);1H.
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-3,3-dimethylbutanamide;hydrochloride?
N-(1-amino-4-methylpentan-2-yl)-3,3-dimethylbutanamide;hydrochloride has a molecular weight of 250.81 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-3,3-dimethylbutanamide;hydrochloride is sourced from PubChem (CID 119585818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).