1-(cyclopentylamino)-4-methylhexan-2-one

C12H23NO — CID 116558992

IUPAC1-(cyclopentylamino)-4-methylhexan-2-one
SMILESCCC(C)CC(=O)CNC1CCCC1
InChIInChI=1S/C12H23NO/c1-3-10(2)8-12(14)9-13-11-6-4-5-7-11/h10-11,13H,3-9H2,1-2H3
InChIKeySHNSEKCNUYTHHJ-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.52
Rot. Bonds6

About 1-(cyclopentylamino)-4-methylhexan-2-one

1-(cyclopentylamino)-4-methylhexan-2-one (PubChem CID 116558992) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-(cyclopentylamino)-4-methylhexan-2-one.

Molecular Properties

Compound Name1-(cyclopentylamino)-4-methylhexan-2-one
PubChem CID116558992
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-(cyclopentylamino)-4-methylhexan-2-one
SMILESCCC(C)CC(=O)CNC1CCCC1
InChIInChI=1S/C12H23NO/c1-3-10(2)8-12(14)9-13-11-6-4-5-7-11/h10-11,13H,3-9H2,1-2H3
InChIKeySHNSEKCNUYTHHJ-UHFFFAOYSA-N
XLogP2.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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-(cyclopentylamino)-4-ethylhexan-2-one
CID 116559114
1-(cyclopentylamino)-5-methylhexan-2-one
CID 116558960
N-(2-methylbutyl)cyclopentanamine
CID 43200714
1-(cyclopentylamino)-5-methylhex-5-en-2-one
CID 114477892
2-(cyclohexylamino)-N-propan-2-ylacetamide
CID 28565007
2-(cycloheptylamino)-N,N-diethylacetamide
CID 43236917
2-(cyclopentylamino)-N-(2-methylpropyl)-N-pentan-3-ylacetamide
CID 79490010
N-[2-(cyclopropylamino)ethyl]-3-methylpentanamide
CID 114875591
1-(cyclopentylamino)-3-propoxypropan-2-one
CID 116559105
1-(cyclopentylamino)pent-4-yn-2-one
CID 116558943
2-(cycloheptylamino)-N-pentan-2-ylacetamide
CID 60688089
2-(cyclohexylamino)-N-pentan-2-ylacetamide
CID 60683795

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylamino)-4-methylhexan-2-one?
The IUPAC name of 1-(cyclopentylamino)-4-methylhexan-2-one (CID 116558992) is 1-(cyclopentylamino)-4-methylhexan-2-one.
What is the SMILES notation for 1-(cyclopentylamino)-4-methylhexan-2-one?
The canonical SMILES for 1-(cyclopentylamino)-4-methylhexan-2-one is CCC(C)CC(=O)CNC1CCCC1.
What is the InChIKey of 1-(cyclopentylamino)-4-methylhexan-2-one?
The InChIKey is SHNSEKCNUYTHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-3-10(2)8-12(14)9-13-11-6-4-5-7-11/h10-11,13H,3-9H2,1-2H3.
What are the key properties of 1-(cyclopentylamino)-4-methylhexan-2-one?
1-(cyclopentylamino)-4-methylhexan-2-one has a molecular weight of 197.32 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylamino)-4-methylhexan-2-one is sourced from PubChem (CID 116558992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).