N-(1-amino-2,3-dimethylbutan-2-yl)-2-cyclobutylacetamide;hydrochloride

C12H25ClN2O — CID 119606072

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-2-cyclobutylacetamide;hydrochloride
SMILESCC(C)C(C)(CN)NC(=O)CC1CCC1.Cl
InChIInChI=1S/C12H24N2O.ClH/c1-9(2)12(3,8-13)14-11(15)7-10-5-4-6-10;/h9-10H,4-8,13H2,1-3H3,(H,14,15);1H
InChIKeyPGABKEIUUHAFPQ-UHFFFAOYSA-N
MW248.80 g/mol
LogP2.09
Rot. Bonds5

About N-(1-amino-2,3-dimethylbutan-2-yl)-2-cyclobutylacetamide;hydrochloride

N-(1-amino-2,3-dimethylbutan-2-yl)-2-cyclobutylacetamide;hydrochloride (PubChem CID 119606072) has the molecular formula C12H25ClN2O and a molecular weight of 248.80 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-2-cyclobutylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-2-cyclobutylacetamide;hydrochloride
PubChem CID119606072
Molecular FormulaC12H25ClN2O
Molecular Weight248.80 g/mol
Exact Mass248.17
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-2-cyclobutylacetamide;hydrochloride
SMILESCC(C)C(C)(CN)NC(=O)CC1CCC1.Cl
InChIInChI=1S/C12H24N2O.ClH/c1-9(2)12(3,8-13)14-11(15)7-10-5-4-6-10;/h9-10H,4-8,13H2,1-3H3,(H,14,15);1H
InChIKeyPGABKEIUUHAFPQ-UHFFFAOYSA-N
XLogP2.09
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.80
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-amino-2,4-dimethylpentan-2-yl)-2-cyclobutylacetamide
CID 103807183
N-(1-amino-2,3-dimethylbutan-2-yl)-3-cyclohexylbutanamide;hydrochloride
CID 119608509
N-(1-amino-2,3-dimethylbutan-2-yl)-2-cyclopentylsulfonylacetamide;hydrochloride
CID 119606077
N-(1-amino-2,3-dimethylbutan-2-yl)-2-pyrrolidin-2-ylacetamide
CID 122080717
N-(1-amino-2,3-dimethylbutan-2-yl)-2-cyclopent-2-en-1-ylacetamide
CID 115310441
tert-butyl (2S)-2-[(2-cyclobutylacetyl)amino]propanoate
CID 103822364
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-methylcyclohexyl)acetamide;hydrochloride
CID 119574482
N-(1-amino-2-methylpropan-2-yl)-4-[(2-cyclopentylacetyl)amino]cyclohexane-1-carboxamide;hydrochloride
CID 119524078
1-acetyl-N-(1-amino-2,3-dimethylbutan-2-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 119605429
N-[3-(aminomethyl)pentan-3-yl]-2-(3-methylcyclohexyl)acetamide;hydrochloride
CID 119570689
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 81485956
N-(1-amino-2,3-dimethylbutan-2-yl)-1-methyl-2-oxopiperidine-4-carboxamide;hydrochloride
CID 119607916

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-2-cyclobutylacetamide;hydrochloride?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-2-cyclobutylacetamide;hydrochloride (CID 119606072) is N-(1-amino-2,3-dimethylbutan-2-yl)-2-cyclobutylacetamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-2-cyclobutylacetamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-2-cyclobutylacetamide;hydrochloride is CC(C)C(C)(CN)NC(=O)CC1CCC1.Cl.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-2-cyclobutylacetamide;hydrochloride?
The InChIKey is PGABKEIUUHAFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O.ClH/c1-9(2)12(3,8-13)14-11(15)7-10-5-4-6-10;/h9-10H,4-8,13H2,1-3H3,(H,14,15);1H.
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-2-cyclobutylacetamide;hydrochloride?
N-(1-amino-2,3-dimethylbutan-2-yl)-2-cyclobutylacetamide;hydrochloride has a molecular weight of 248.80 g/mol, XLogP of 2.09, 5 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)-2-cyclobutylacetamide;hydrochloride is sourced from PubChem (CID 119606072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).