3-amino-1-cyclopentyl-2-methylbutan-1-one

C10H19NO — CID 116612102

IUPAC3-amino-1-cyclopentyl-2-methylbutan-1-one
SMILESCC(N)C(C)C(=O)C1CCCC1
InChIInChI=1S/C10H19NO/c1-7(8(2)11)10(12)9-5-3-4-6-9/h7-9H,3-6,11H2,1-2H3
InChIKeyOQMDENPVNSPKJY-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.73
Rot. Bonds3

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

3-amino-1-cyclopentyl-2-methylbutan-1-one (PubChem CID 116612102) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 3-amino-1-cyclopentyl-2-methylbutan-1-one.

Molecular Properties

Compound Name3-amino-1-cyclopentyl-2-methylbutan-1-one
PubChem CID116612102
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name3-amino-1-cyclopentyl-2-methylbutan-1-one
SMILESCC(N)C(C)C(=O)C1CCCC1
InChIInChI=1S/C10H19NO/c1-7(8(2)11)10(12)9-5-3-4-6-9/h7-9H,3-6,11H2,1-2H3
InChIKeyOQMDENPVNSPKJY-UHFFFAOYSA-N
XLogP1.73
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-1-cyclopentyl-3-methylbutan-1-one
CID 174421994
1-cyclohexyl-2,3-dimethylbutan-1-one;ethane;ethene
CID 143362777
3-amino-1-(3,4-dimethylcyclohexyl)-2-methylbutan-1-one
CID 116612177
1,3-di(cyclobutyl)-2-methylpropane-1,3-dione
CID 165484396
2-amino-1-cyclohexyl-3-methylpentan-1-one
CID 59078548
1-cyclopentyl-2-ethyl-3-methylbutan-1-one
CID 134474647
1-cyclopentyl-2-(hydroxymethyl)-3-methylbutan-1-one
CID 116923369
N-(3-aminobutan-2-yl)cyclopentanecarboxamide
CID 130908658
methyl 3-cyclopentyl-2-fluoro-3-oxopropanoate
CID 105443001
1-aminoethanol;cyclohexanecarboxylic acid
CID 173051544
(2S)-2-amino-1-cyclopropyl-3-methylbutan-1-one
CID 59677798
3-cyclohexyl-2-methyl-3-oxopropanal;ethane
CID 145129838

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-cyclopentyl-2-methylbutan-1-one?
The IUPAC name of 3-amino-1-cyclopentyl-2-methylbutan-1-one (CID 116612102) is 3-amino-1-cyclopentyl-2-methylbutan-1-one.
What is the SMILES notation for 3-amino-1-cyclopentyl-2-methylbutan-1-one?
The canonical SMILES for 3-amino-1-cyclopentyl-2-methylbutan-1-one is CC(N)C(C)C(=O)C1CCCC1.
What is the InChIKey of 3-amino-1-cyclopentyl-2-methylbutan-1-one?
The InChIKey is OQMDENPVNSPKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-7(8(2)11)10(12)9-5-3-4-6-9/h7-9H,3-6,11H2,1-2H3.
What are the key properties of 3-amino-1-cyclopentyl-2-methylbutan-1-one?
3-amino-1-cyclopentyl-2-methylbutan-1-one has a molecular weight of 169.27 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-cyclopentyl-2-methylbutan-1-one is sourced from PubChem (CID 116612102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).