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

C10H19NO — CID 82412671

IUPAC3-amino-1-cyclopentyl-3-methylbutan-1-one
SMILESCC(C)(N)CC(=O)C1CCCC1
InChIInChI=1S/C10H19NO/c1-10(2,11)7-9(12)8-5-3-4-6-8/h8H,3-7,11H2,1-2H3
InChIKeyAKKBYULMJTULGL-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.87
Rot. Bonds3

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

3-amino-1-cyclopentyl-3-methylbutan-1-one (PubChem CID 82412671) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 3-amino-1-cyclopentyl-3-methylbutan-1-one.

Molecular Properties

Compound Name3-amino-1-cyclopentyl-3-methylbutan-1-one
PubChem CID82412671
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name3-amino-1-cyclopentyl-3-methylbutan-1-one
SMILESCC(C)(N)CC(=O)C1CCCC1
InChIInChI=1S/C10H19NO/c1-10(2,11)7-9(12)8-5-3-4-6-8/h8H,3-7,11H2,1-2H3
InChIKeyAKKBYULMJTULGL-UHFFFAOYSA-N
XLogP1.87
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 ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-3-methyl-1-(1-methylpiperidin-3-yl)butan-1-one
CID 116915795
3-amino-1-(3,4-dimethylcyclohexyl)-3-methylbutan-1-one
CID 116581016
1-cycloheptyl-3-methoxy-3-methylbutan-1-one
CID 103023457
1-cycloheptyl-3,3,3-trifluoropropan-1-one
CID 82932563
1-[(4Z)-cyclooct-4-en-1-yl]-3,3-dimethylbutan-1-one
CID 58281125
1-cyclopentyl-3-methyl-3-piperazin-1-ylbutan-1-one
CID 116924102
1-cyclopentyl-5,5-dimethylhexan-1-one
CID 59118963
1-cycloheptyl-4,4-dimethylpentan-1-one
CID 65399769
3-amino-3-cyclopentylbutanoic acid
CID 55295139
(3R)-3-amino-3-cyclopentylbutanoic acid
CID 55294909
1-cyclohexyl-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butan-1-one
CID 58810825
3-amino-N-(2-hydroxycyclohexyl)-3-methylbutanamide
CID 64677641

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-cyclopentyl-3-methylbutan-1-one?
The IUPAC name of 3-amino-1-cyclopentyl-3-methylbutan-1-one (CID 82412671) is 3-amino-1-cyclopentyl-3-methylbutan-1-one.
What is the SMILES notation for 3-amino-1-cyclopentyl-3-methylbutan-1-one?
The canonical SMILES for 3-amino-1-cyclopentyl-3-methylbutan-1-one is CC(C)(N)CC(=O)C1CCCC1.
What is the InChIKey of 3-amino-1-cyclopentyl-3-methylbutan-1-one?
The InChIKey is AKKBYULMJTULGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-10(2,11)7-9(12)8-5-3-4-6-8/h8H,3-7,11H2,1-2H3.
What are the key properties of 3-amino-1-cyclopentyl-3-methylbutan-1-one?
3-amino-1-cyclopentyl-3-methylbutan-1-one has a molecular weight of 169.27 g/mol, XLogP of 1.87, 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-3-methylbutan-1-one is sourced from PubChem (CID 82412671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).