4-(3-phenylpropylamino)cyclohexan-1-one

C15H21NO — CID 15290860

IUPAC4-(3-phenylpropylamino)cyclohexan-1-one
SMILESO=C1CCC(NCCCc2ccccc2)CC1
InChIInChI=1S/C15H21NO/c17-15-10-8-14(9-11-15)16-12-4-7-13-5-2-1-3-6-13/h1-3,5-6,14,16H,4,7-12H2
InChIKeyCCHKOVOXVCKVHF-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.72
Rot. Bonds5

About 4-(3-phenylpropylamino)cyclohexan-1-one

4-(3-phenylpropylamino)cyclohexan-1-one (PubChem CID 15290860) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 4-(3-phenylpropylamino)cyclohexan-1-one.

Molecular Properties

Compound Name4-(3-phenylpropylamino)cyclohexan-1-one
PubChem CID15290860
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name4-(3-phenylpropylamino)cyclohexan-1-one
SMILESO=C1CCC(NCCCc2ccccc2)CC1
InChIInChI=1S/C15H21NO/c17-15-10-8-14(9-11-15)16-12-4-7-13-5-2-1-3-6-13/h1-3,5-6,14,16H,4,7-12H2
InChIKeyCCHKOVOXVCKVHF-UHFFFAOYSA-N
XLogP2.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-phenylpropyl)cyclododecanamine
CID 83958228
4-(3-phenylpropylamino)cyclohexane-1-carboxamide
CID 43748734
N-(4-phenylbutyl)oxan-4-amine
CID 115651772
N-(4-phenylbutyl)piperidin-4-amine
CID 44592823
N-(4-phenylbutyl)thian-4-amine
CID 115575565
1-(4-phenylbutyl)-N-(3-phenylpropyl)piperidin-4-amine
CID 24786198
[(Z)-prop-1-enyl]benzene;4-(propylamino)cyclohexan-1-one
CID 145176263
4-(4-phenylbutyl)cyclohexan-1-one
CID 147953036
4-(5-phenylpentylamino)cyclohexane-1-carboxylic acid
CID 122030961
N-(3-phenylpropyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine
CID 15061903
4-(4-phenylbutylamino)cyclohexane-1-carboxamide
CID 114333233
5-(2-phenylethylamino)piperidin-2-one
CID 63661902

Frequently Asked Questions

What is the IUPAC name of 4-(3-phenylpropylamino)cyclohexan-1-one?
The IUPAC name of 4-(3-phenylpropylamino)cyclohexan-1-one (CID 15290860) is 4-(3-phenylpropylamino)cyclohexan-1-one.
What is the SMILES notation for 4-(3-phenylpropylamino)cyclohexan-1-one?
The canonical SMILES for 4-(3-phenylpropylamino)cyclohexan-1-one is O=C1CCC(NCCCc2ccccc2)CC1.
What is the InChIKey of 4-(3-phenylpropylamino)cyclohexan-1-one?
The InChIKey is CCHKOVOXVCKVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c17-15-10-8-14(9-11-15)16-12-4-7-13-5-2-1-3-6-13/h1-3,5-6,14,16H,4,7-12H2.
What are the key properties of 4-(3-phenylpropylamino)cyclohexan-1-one?
4-(3-phenylpropylamino)cyclohexan-1-one has a molecular weight of 231.34 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenylpropylamino)cyclohexan-1-one is sourced from PubChem (CID 15290860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).