4-amino-N-cyclobutyl-N-propan-2-ylpentanamide;hydrochloride

C12H25ClN2O — CID 120563247

IUPAC4-amino-N-cyclobutyl-N-propan-2-ylpentanamide;hydrochloride
SMILESCC(N)CCC(=O)N(C(C)C)C1CCC1.Cl
InChIInChI=1S/C12H24N2O.ClH/c1-9(2)14(11-5-4-6-11)12(15)8-7-10(3)13;/h9-11H,4-8,13H2,1-3H3;1H
InChIKeyXOFLYKZLGLDBIJ-UHFFFAOYSA-N
MW248.80 g/mol
LogP2.33
Rot. Bonds5

About 4-amino-N-cyclobutyl-N-propan-2-ylpentanamide;hydrochloride

4-amino-N-cyclobutyl-N-propan-2-ylpentanamide;hydrochloride (PubChem CID 120563247) has the molecular formula C12H25ClN2O and a molecular weight of 248.80 g/mol. Its IUPAC name is 4-amino-N-cyclobutyl-N-propan-2-ylpentanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-cyclobutyl-N-propan-2-ylpentanamide;hydrochloride
PubChem CID120563247
Molecular FormulaC12H25ClN2O
Molecular Weight248.80 g/mol
Exact Mass248.17
IUPAC Name4-amino-N-cyclobutyl-N-propan-2-ylpentanamide;hydrochloride
SMILESCC(N)CCC(=O)N(C(C)C)C1CCC1.Cl
InChIInChI=1S/C12H24N2O.ClH/c1-9(2)14(11-5-4-6-11)12(15)8-7-10(3)13;/h9-11H,4-8,13H2,1-3H3;1H
InChIKeyXOFLYKZLGLDBIJ-UHFFFAOYSA-N
XLogP2.33
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.80
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-cyclopentyl-N-propan-2-ylpentanamide
CID 120560450
4-amino-N-cyclopentyl-N-propan-2-ylbutanamide
CID 119291427
N,N'-dicyclohexyl-N,N'-di(propan-2-yl)dodecanediamide
CID 20752266
2-chloro-N-cyclopentyl-N-propan-2-ylacetamide
CID 54592476
4-amino-N-cyclopentyl-N-(oxolan-2-ylmethyl)pentanamide;hydrochloride
CID 120563456
(2R)-2-amino-3-[2-[cyclohexyl(propan-2-yl)amino]-2-oxoethyl]sulfanylpropanoic acid
CID 61142140
2-(1-aminopropan-2-ylsulfanyl)-N-cyclohexyl-N-propan-2-ylacetamide
CID 66217378
3-[2-[cyclohexyl(propan-2-yl)amino]-2-oxoethyl]sulfanylpropanoic acid
CID 43092591
2-[cyclopropyl(4-methylpentanoyl)amino]propanoic acid
CID 119202197
N-cyclohexyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-propan-2-ylacetamide
CID 78963297
4-amino-N-[(2-chlorophenyl)methyl]-N-cyclopentylpentanamide;hydrochloride
CID 120562365
4-amino-N-cyclopentyl-N-[(2,5-difluorophenyl)methyl]pentanamide;hydrochloride
CID 120563897

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cyclobutyl-N-propan-2-ylpentanamide;hydrochloride?
The IUPAC name of 4-amino-N-cyclobutyl-N-propan-2-ylpentanamide;hydrochloride (CID 120563247) is 4-amino-N-cyclobutyl-N-propan-2-ylpentanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-cyclobutyl-N-propan-2-ylpentanamide;hydrochloride?
The canonical SMILES for 4-amino-N-cyclobutyl-N-propan-2-ylpentanamide;hydrochloride is CC(N)CCC(=O)N(C(C)C)C1CCC1.Cl.
What is the InChIKey of 4-amino-N-cyclobutyl-N-propan-2-ylpentanamide;hydrochloride?
The InChIKey is XOFLYKZLGLDBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O.ClH/c1-9(2)14(11-5-4-6-11)12(15)8-7-10(3)13;/h9-11H,4-8,13H2,1-3H3;1H.
What are the key properties of 4-amino-N-cyclobutyl-N-propan-2-ylpentanamide;hydrochloride?
4-amino-N-cyclobutyl-N-propan-2-ylpentanamide;hydrochloride has a molecular weight of 248.80 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-cyclobutyl-N-propan-2-ylpentanamide;hydrochloride is sourced from PubChem (CID 120563247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).