1-cyclopentyl-3-(ethylamino)-3-methylbutan-2-one

C12H23NO — CID 116566140

IUPAC1-cyclopentyl-3-(ethylamino)-3-methylbutan-2-one
SMILESCCNC(C)(C)C(=O)CC1CCCC1
InChIInChI=1S/C12H23NO/c1-4-13-12(2,3)11(14)9-10-7-5-6-8-10/h10,13H,4-9H2,1-3H3
InChIKeyZEHLMNAZOAQRKY-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.52
Rot. Bonds5

About 1-cyclopentyl-3-(ethylamino)-3-methylbutan-2-one

1-cyclopentyl-3-(ethylamino)-3-methylbutan-2-one (PubChem CID 116566140) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-cyclopentyl-3-(ethylamino)-3-methylbutan-2-one.

Molecular Properties

Compound Name1-cyclopentyl-3-(ethylamino)-3-methylbutan-2-one
PubChem CID116566140
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-cyclopentyl-3-(ethylamino)-3-methylbutan-2-one
SMILESCCNC(C)(C)C(=O)CC1CCCC1
InChIInChI=1S/C12H23NO/c1-4-13-12(2,3)11(14)9-10-7-5-6-8-10/h10,13H,4-9H2,1-3H3
InChIKeyZEHLMNAZOAQRKY-UHFFFAOYSA-N
XLogP2.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyl-3,3,4,4-tetramethylpentan-2-one
CID 160740910
1-cyclohexyl-5,5-dimethylhexane-2,4-dione
CID 14227231
N-cyclohexyl-N-ethyl-2-(ethylamino)-2-methylpropanamide
CID 62831377
2-[(2-cyclohexylacetyl)amino]-2-methylbutanoic acid
CID 79792659
2-(ethylamino)-2-methyl-N-(2-methylcyclohexyl)propanamide
CID 62832663
2-(ethylamino)-N-[(1R,2R)-2-hydroxycyclohexyl]-2-methylpropanamide
CID 94878499
1-cyclopentyl-3-ethoxy-3-ethylpentan-2-one
CID 116747218
3-(aminomethyl)-1-cyclohexyl-3-ethylpentan-2-one
CID 116603857
3-amino-1-cyclobutyl-3-cyclopropylbutan-2-one
CID 116558426
2-[[2-(ethylamino)-2-methylpropanoyl]amino]cyclopentane-1-carboxylic acid
CID 64814582
3-cyclopropyl-3-(ethylamino)butanoic acid
CID 65234034
N-(1-cyclohexylpropyl)-2-(ethylamino)-2-methylpropanamide
CID 62834265

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(ethylamino)-3-methylbutan-2-one?
The IUPAC name of 1-cyclopentyl-3-(ethylamino)-3-methylbutan-2-one (CID 116566140) is 1-cyclopentyl-3-(ethylamino)-3-methylbutan-2-one.
What is the SMILES notation for 1-cyclopentyl-3-(ethylamino)-3-methylbutan-2-one?
The canonical SMILES for 1-cyclopentyl-3-(ethylamino)-3-methylbutan-2-one is CCNC(C)(C)C(=O)CC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-(ethylamino)-3-methylbutan-2-one?
The InChIKey is ZEHLMNAZOAQRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-4-13-12(2,3)11(14)9-10-7-5-6-8-10/h10,13H,4-9H2,1-3H3.
What are the key properties of 1-cyclopentyl-3-(ethylamino)-3-methylbutan-2-one?
1-cyclopentyl-3-(ethylamino)-3-methylbutan-2-one has a molecular weight of 197.32 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(ethylamino)-3-methylbutan-2-one is sourced from PubChem (CID 116566140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).