1-cyclopentyl-3-methyl-1-(propan-2-ylamino)butan-2-one

C13H25NO — CID 58862415

IUPAC1-cyclopentyl-3-methyl-1-(propan-2-ylamino)butan-2-one
SMILESCC(C)NC(C(=O)C(C)C)C1CCCC1
InChIInChI=1S/C13H25NO/c1-9(2)13(15)12(14-10(3)4)11-7-5-6-8-11/h9-12,14H,5-8H2,1-4H3
InChIKeyCPVBSEOFDZVJDV-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.77
Rot. Bonds5

About 1-cyclopentyl-3-methyl-1-(propan-2-ylamino)butan-2-one

1-cyclopentyl-3-methyl-1-(propan-2-ylamino)butan-2-one (PubChem CID 58862415) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-cyclopentyl-3-methyl-1-(propan-2-ylamino)butan-2-one.

Molecular Properties

Compound Name1-cyclopentyl-3-methyl-1-(propan-2-ylamino)butan-2-one
PubChem CID58862415
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name1-cyclopentyl-3-methyl-1-(propan-2-ylamino)butan-2-one
SMILESCC(C)NC(C(=O)C(C)C)C1CCCC1
InChIInChI=1S/C13H25NO/c1-9(2)13(15)12(14-10(3)4)11-7-5-6-8-11/h9-12,14H,5-8H2,1-4H3
InChIKeyCPVBSEOFDZVJDV-UHFFFAOYSA-N
XLogP2.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 126487606
1-piperidin-4-yl-1-(propan-2-ylamino)propan-2-one
CID 177156090
N-(1-cyclopentylethyl)propan-2-amine
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3-cyclopentyl-3-(propan-2-ylamino)propanoic acid
CID 83637719
N-[(1S)-1-cyclohexylethyl]propan-2-amine
CID 58682676
methyl N-[(1R)-3-methyl-1-(oxan-4-yl)-2-oxobutyl]carbamate
CID 59470809
2-(1-cyclohexylethylamino)-3-methylbutanamide
CID 103729646
N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-3-cyclopropyl-2-fluorobenzamide
CID 176577705
(2S)-2-acetamido-2-cyclopentylacetamide
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N-cyclopropyl-2-(propan-2-ylamino)propanamide
CID 43085808

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-methyl-1-(propan-2-ylamino)butan-2-one?
The IUPAC name of 1-cyclopentyl-3-methyl-1-(propan-2-ylamino)butan-2-one (CID 58862415) is 1-cyclopentyl-3-methyl-1-(propan-2-ylamino)butan-2-one.
What is the SMILES notation for 1-cyclopentyl-3-methyl-1-(propan-2-ylamino)butan-2-one?
The canonical SMILES for 1-cyclopentyl-3-methyl-1-(propan-2-ylamino)butan-2-one is CC(C)NC(C(=O)C(C)C)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-methyl-1-(propan-2-ylamino)butan-2-one?
The InChIKey is CPVBSEOFDZVJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-9(2)13(15)12(14-10(3)4)11-7-5-6-8-11/h9-12,14H,5-8H2,1-4H3.
What are the key properties of 1-cyclopentyl-3-methyl-1-(propan-2-ylamino)butan-2-one?
1-cyclopentyl-3-methyl-1-(propan-2-ylamino)butan-2-one has a molecular weight of 211.35 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-methyl-1-(propan-2-ylamino)butan-2-one is sourced from PubChem (CID 58862415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).