N-(4-aminobutan-2-yl)-2-cyclobutyl-N-methylacetamide

C11H22N2O — CID 103161435

IUPACN-(4-aminobutan-2-yl)-2-cyclobutyl-N-methylacetamide
SMILESCC(CCN)N(C)C(=O)CC1CCC1
InChIInChI=1S/C11H22N2O/c1-9(6-7-12)13(2)11(14)8-10-4-3-5-10/h9-10H,3-8,12H2,1-2H3
InChIKeyIDKMKHXBPHQRSW-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.37
Rot. Bonds5

About N-(4-aminobutan-2-yl)-2-cyclobutyl-N-methylacetamide

N-(4-aminobutan-2-yl)-2-cyclobutyl-N-methylacetamide (PubChem CID 103161435) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is N-(4-aminobutan-2-yl)-2-cyclobutyl-N-methylacetamide.

Molecular Properties

Compound NameN-(4-aminobutan-2-yl)-2-cyclobutyl-N-methylacetamide
PubChem CID103161435
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC NameN-(4-aminobutan-2-yl)-2-cyclobutyl-N-methylacetamide
SMILESCC(CCN)N(C)C(=O)CC1CCC1
InChIInChI=1S/C11H22N2O/c1-9(6-7-12)13(2)11(14)8-10-4-3-5-10/h9-10H,3-8,12H2,1-2H3
InChIKeyIDKMKHXBPHQRSW-UHFFFAOYSA-N
XLogP1.37
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-aminopropan-2-yl)-2-cycloheptyl-N-methylacetamide
CID 115737376
N-(4-amino-4-sulfanylidenebutan-2-yl)-2-cyclobutyl-N-methylacetamide
CID 103163701
2-(3-aminocyclohexyl)-N-butan-2-yl-N-methylacetamide
CID 62781673
N-(1-cyanopropan-2-yl)-2-cyclohexyl-N-methylacetamide
CID 55220083
2-[(2-cyclopentylacetyl)-methylamino]propanoic acid
CID 62625647
N-(2-amino-1-cyclopropylethyl)-2-cyclopentyl-N-methylacetamide
CID 116651718
2-[4-(aminomethyl)cyclohexyl]-N-(1-methoxypropan-2-yl)-N-methylacetamide
CID 55215076
N-(4-aminobutan-2-yl)-N,4-dimethylpentanamide
CID 63225605
2-[(2-cyclohexylacetyl)-methylamino]propanoic acid
CID 62627808
N-(4-amino-4-hydroxyiminobutan-2-yl)-2-cyclopropyl-N-methylacetamide
CID 76987659
2-[methyl-[2-(1-methylpiperidin-3-yl)acetyl]amino]propanoic acid
CID 110837525
N-(3-aminopropyl)-2-cycloheptyl-N-methylacetamide
CID 115737510

Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutan-2-yl)-2-cyclobutyl-N-methylacetamide?
The IUPAC name of N-(4-aminobutan-2-yl)-2-cyclobutyl-N-methylacetamide (CID 103161435) is N-(4-aminobutan-2-yl)-2-cyclobutyl-N-methylacetamide.
What is the SMILES notation for N-(4-aminobutan-2-yl)-2-cyclobutyl-N-methylacetamide?
The canonical SMILES for N-(4-aminobutan-2-yl)-2-cyclobutyl-N-methylacetamide is CC(CCN)N(C)C(=O)CC1CCC1.
What is the InChIKey of N-(4-aminobutan-2-yl)-2-cyclobutyl-N-methylacetamide?
The InChIKey is IDKMKHXBPHQRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-9(6-7-12)13(2)11(14)8-10-4-3-5-10/h9-10H,3-8,12H2,1-2H3.
What are the key properties of N-(4-aminobutan-2-yl)-2-cyclobutyl-N-methylacetamide?
N-(4-aminobutan-2-yl)-2-cyclobutyl-N-methylacetamide has a molecular weight of 198.31 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutan-2-yl)-2-cyclobutyl-N-methylacetamide is sourced from PubChem (CID 103161435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).