1-amino-1-cyclopropyl-3-methylbutan-2-one

C8H15NO — CID 76751982

IUPAC1-amino-1-cyclopropyl-3-methylbutan-2-one
SMILESCC(C)C(=O)C(N)C1CC1
InChIInChI=1S/C8H15NO/c1-5(2)8(10)7(9)6-3-4-6/h5-7H,3-4,9H2,1-2H3
InChIKeyWPZFCHWWQIFYBV-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.95
Rot. Bonds3

About 1-amino-1-cyclopropyl-3-methylbutan-2-one

1-amino-1-cyclopropyl-3-methylbutan-2-one (PubChem CID 76751982) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 1-amino-1-cyclopropyl-3-methylbutan-2-one.

Molecular Properties

Compound Name1-amino-1-cyclopropyl-3-methylbutan-2-one
PubChem CID76751982
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name1-amino-1-cyclopropyl-3-methylbutan-2-one
SMILESCC(C)C(=O)C(N)C1CC1
InChIInChI=1S/C8H15NO/c1-5(2)8(10)7(9)6-3-4-6/h5-7H,3-4,9H2,1-2H3
InChIKeyWPZFCHWWQIFYBV-UHFFFAOYSA-N
XLogP0.95
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-amino-1-cyclopentyl-3-methylbutan-2-one
CID 126487606
1-amino-1-cyclopropylpropan-2-one
CID 54079114
2-amino-2-cyclopropylacetyl chloride
CID 55289938
(4R)-4-cyclopropyl-2,5-dimethylhexan-3-one
CID 157057369
(1S)-1-cyclopropyl-3-methyl-2-methylidenebutan-1-amine
CID 58309893
methyl 2-amino-2-(4-methylcyclohexyl)acetate
CID 64747912
2-cyclohexyl-4-methylpentan-3-one
CID 14086898
(2S)-2-amino-2-(4-methylcyclohexyl)acetic acid
CID 57462435
cyclopentyl (2S)-2-amino-2-cyclopropylacetate
CID 94554301
propan-2-yl 3-cyclopropyl-5-methyl-4-oxohexanoate
CID 157307312
(2R)-2-amino-N-tert-butyl-2-cyclopropylacetamide
CID 135219031
N-(1-cyclopropyl-3-methyl-2-oxobutyl)acetamide
CID 76825713

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-cyclopropyl-3-methylbutan-2-one?
The IUPAC name of 1-amino-1-cyclopropyl-3-methylbutan-2-one (CID 76751982) is 1-amino-1-cyclopropyl-3-methylbutan-2-one.
What is the SMILES notation for 1-amino-1-cyclopropyl-3-methylbutan-2-one?
The canonical SMILES for 1-amino-1-cyclopropyl-3-methylbutan-2-one is CC(C)C(=O)C(N)C1CC1.
What is the InChIKey of 1-amino-1-cyclopropyl-3-methylbutan-2-one?
The InChIKey is WPZFCHWWQIFYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-5(2)8(10)7(9)6-3-4-6/h5-7H,3-4,9H2,1-2H3.
What are the key properties of 1-amino-1-cyclopropyl-3-methylbutan-2-one?
1-amino-1-cyclopropyl-3-methylbutan-2-one has a molecular weight of 141.21 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-cyclopropyl-3-methylbutan-2-one is sourced from PubChem (CID 76751982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).