N-(1-amino-2,3-dimethylbutan-2-yl)-3-ethyl-4-methylpentanamide;hydrochloride

C14H31ClN2O — CID 119605747

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-3-ethyl-4-methylpentanamide;hydrochloride
SMILESCCC(CC(=O)NC(C)(CN)C(C)C)C(C)C.Cl
InChIInChI=1S/C14H30N2O.ClH/c1-7-12(10(2)3)8-13(17)16-14(6,9-15)11(4)5;/h10-12H,7-9,15H2,1-6H3,(H,16,17);1H
InChIKeyOYCIHXAOVAPFNT-UHFFFAOYSA-N
MW278.87 g/mol
LogP2.97
Rot. Bonds7

About N-(1-amino-2,3-dimethylbutan-2-yl)-3-ethyl-4-methylpentanamide;hydrochloride

N-(1-amino-2,3-dimethylbutan-2-yl)-3-ethyl-4-methylpentanamide;hydrochloride (PubChem CID 119605747) has the molecular formula C14H31ClN2O and a molecular weight of 278.87 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-3-ethyl-4-methylpentanamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-3-ethyl-4-methylpentanamide;hydrochloride
PubChem CID119605747
Molecular FormulaC14H31ClN2O
Molecular Weight278.87 g/mol
Exact Mass278.21
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-3-ethyl-4-methylpentanamide;hydrochloride
SMILESCCC(CC(=O)NC(C)(CN)C(C)C)C(C)C.Cl
InChIInChI=1S/C14H30N2O.ClH/c1-7-12(10(2)3)8-13(17)16-14(6,9-15)11(4)5;/h10-12H,7-9,15H2,1-6H3,(H,16,17);1H
InChIKeyOYCIHXAOVAPFNT-UHFFFAOYSA-N
XLogP2.97
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.87
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-ethyl-4-methylpentanoyl)amino]-2-methylpropanoic acid
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N-(1-amino-2,3-dimethylbutan-2-yl)-3-ethoxypropanamide;hydrochloride
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N-(1-amino-2,3-dimethylbutan-2-yl)-3-methoxy-3-methylbutanamide
CID 103021631
N-(1-amino-2,3-dimethylbutan-2-yl)-3-cyclohexylbutanamide;hydrochloride
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N-(1-amino-2,3-dimethylbutan-2-yl)octanamide
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N-(1-amino-2,3-dimethylbutan-2-yl)decanamide
CID 115310393
N-(1-amino-2,3-dimethylbutan-2-yl)-2-propylsulfanylacetamide
CID 119606876
N-(1-amino-2,3-dimethylbutan-2-yl)-2-pentoxyacetamide;hydrochloride
CID 119605723
N-(1-amino-2,3-dimethylbutan-2-yl)-2-phenylacetamide;hydrochloride
CID 119608428
N-(1-amino-2,3-dimethylbutan-2-yl)-2-cyclobutylacetamide;hydrochloride
CID 119606072
N-(1-amino-2,3-dimethylbutan-2-yl)-4,4,4-trifluoro-3-phenylbutanamide;hydrochloride
CID 119607171
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CID 119605895

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-3-ethyl-4-methylpentanamide;hydrochloride?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-3-ethyl-4-methylpentanamide;hydrochloride (CID 119605747) is N-(1-amino-2,3-dimethylbutan-2-yl)-3-ethyl-4-methylpentanamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-3-ethyl-4-methylpentanamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-3-ethyl-4-methylpentanamide;hydrochloride is CCC(CC(=O)NC(C)(CN)C(C)C)C(C)C.Cl.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-3-ethyl-4-methylpentanamide;hydrochloride?
The InChIKey is OYCIHXAOVAPFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O.ClH/c1-7-12(10(2)3)8-13(17)16-14(6,9-15)11(4)5;/h10-12H,7-9,15H2,1-6H3,(H,16,17);1H.
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-3-ethyl-4-methylpentanamide;hydrochloride?
N-(1-amino-2,3-dimethylbutan-2-yl)-3-ethyl-4-methylpentanamide;hydrochloride has a molecular weight of 278.87 g/mol, XLogP of 2.97, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-3-ethyl-4-methylpentanamide;hydrochloride is sourced from PubChem (CID 119605747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).