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

C13H25NO — CID 116559114

IUPAC1-(cyclopentylamino)-4-ethylhexan-2-one
SMILESCCC(CC)CC(=O)CNC1CCCC1
InChIInChI=1S/C13H25NO/c1-3-11(4-2)9-13(15)10-14-12-7-5-6-8-12/h11-12,14H,3-10H2,1-2H3
InChIKeyLRTNMJMADKSFES-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.91
Rot. Bonds7

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

1-(cyclopentylamino)-4-ethylhexan-2-one (PubChem CID 116559114) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-(cyclopentylamino)-4-ethylhexan-2-one.

Molecular Properties

Compound Name1-(cyclopentylamino)-4-ethylhexan-2-one
PubChem CID116559114
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name1-(cyclopentylamino)-4-ethylhexan-2-one
SMILESCCC(CC)CC(=O)CNC1CCCC1
InChIInChI=1S/C13H25NO/c1-3-11(4-2)9-13(15)10-14-12-7-5-6-8-12/h11-12,14H,3-10H2,1-2H3
InChIKeyLRTNMJMADKSFES-UHFFFAOYSA-N
XLogP2.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(cyclopentylamino)-4-ethylhexan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(cyclopentylamino)-4-methylhexan-2-one
CID 116558992
1-(cyclopentylamino)-5-methylhexan-2-one
CID 116558960
1-(cyclopentylamino)-3-propoxypropan-2-one
CID 116559105
1-(cyclopentylamino)pent-4-yn-2-one
CID 116558943
1-(cyclopentylamino)-5-methylhex-5-en-2-one
CID 114477892
2-(cyclobutylamino)-N-pentan-3-ylacetamide
CID 62413978
2-(cyclohexylamino)-N-propan-2-ylacetamide
CID 28565007
2-(cyclooctylamino)-N-ethylacetamide
CID 28575760
2-(cyclododecylamino)-N-ethylacetamide
CID 43399943
1-(cyclobutylamino)propan-2-one
CID 21335373
2-(cyclopentylamino)-N-(2-methylpropyl)-N-pentan-3-ylacetamide
CID 79490010
2-(cyclooctylamino)-N-methylacetamide
CID 28575796

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylamino)-4-ethylhexan-2-one?
The IUPAC name of 1-(cyclopentylamino)-4-ethylhexan-2-one (CID 116559114) is 1-(cyclopentylamino)-4-ethylhexan-2-one.
What is the SMILES notation for 1-(cyclopentylamino)-4-ethylhexan-2-one?
The canonical SMILES for 1-(cyclopentylamino)-4-ethylhexan-2-one is CCC(CC)CC(=O)CNC1CCCC1.
What is the InChIKey of 1-(cyclopentylamino)-4-ethylhexan-2-one?
The InChIKey is LRTNMJMADKSFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-3-11(4-2)9-13(15)10-14-12-7-5-6-8-12/h11-12,14H,3-10H2,1-2H3.
What are the key properties of 1-(cyclopentylamino)-4-ethylhexan-2-one?
1-(cyclopentylamino)-4-ethylhexan-2-one has a molecular weight of 211.35 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylamino)-4-ethylhexan-2-one is sourced from PubChem (CID 116559114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).