2-[2-(cyclohexen-1-yl)ethylamino]-1-(4-ethylphenyl)propan-1-one

C19H27NO — CID 82100261

IUPAC2-[2-(cyclohexen-1-yl)ethylamino]-1-(4-ethylphenyl)propan-1-one
SMILESCCc1ccc(C(=O)C(C)NCCC2=CCCCC2)cc1
InChIInChI=1S/C19H27NO/c1-3-16-9-11-18(12-10-16)19(21)15(2)20-14-13-17-7-5-4-6-8-17/h7,9-12,15,20H,3-6,8,13-14H2,1-2H3
InChIKeyMIBZNBRDEUGSAX-UHFFFAOYSA-N
MW285.43 g/mol
LogP4.30
Rot. Bonds7

About 2-[2-(cyclohexen-1-yl)ethylamino]-1-(4-ethylphenyl)propan-1-one

2-[2-(cyclohexen-1-yl)ethylamino]-1-(4-ethylphenyl)propan-1-one (PubChem CID 82100261) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is 2-[2-(cyclohexen-1-yl)ethylamino]-1-(4-ethylphenyl)propan-1-one.

Molecular Properties

Compound Name2-[2-(cyclohexen-1-yl)ethylamino]-1-(4-ethylphenyl)propan-1-one
PubChem CID82100261
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC Name2-[2-(cyclohexen-1-yl)ethylamino]-1-(4-ethylphenyl)propan-1-one
SMILESCCc1ccc(C(=O)C(C)NCCC2=CCCCC2)cc1
InChIInChI=1S/C19H27NO/c1-3-16-9-11-18(12-10-16)19(21)15(2)20-14-13-17-7-5-4-6-8-17/h7,9-12,15,20H,3-6,8,13-14H2,1-2H3
InChIKeyMIBZNBRDEUGSAX-UHFFFAOYSA-N
XLogP4.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(cyclohexen-1-yl)ethylamino]-1-(4-methylphenyl)propan-1-one
CID 82100138
[(2S)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl] 4-ethylbenzoate
CID 7364710
2-[2-(cyclohexen-1-yl)ethylamino]-N-pentan-2-ylpropanamide
CID 60719007
1-(4-ethylphenyl)-2-(2-methoxyethylamino)propan-1-one
CID 82100246
2-[2-(cyclohexen-1-yl)ethylamino]-N-(4-methylphenyl)propanamide
CID 60638654
2-[2-(cyclohexen-1-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 115571067
(2S)-N-[2-(cyclohexen-1-yl)ethyl]-3-methylbutan-2-amine
CID 28620859
5-[2-(cyclohexen-1-yl)ethylamino]-N-(4-ethylphenyl)pyridine-2-carboxamide
CID 109183775
N-[(2S)-1-[2-(cyclohexen-1-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
CID 24540008
4-[[2-(cyclopenten-1-yl)ethylamino]methyl]-N-methylbenzamide
CID 103845360
1-(4-ethylphenyl)-2-[(4-methylphenyl)methylamino]propan-1-one
CID 82100240
2-chloro-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 3498774

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclohexen-1-yl)ethylamino]-1-(4-ethylphenyl)propan-1-one?
The IUPAC name of 2-[2-(cyclohexen-1-yl)ethylamino]-1-(4-ethylphenyl)propan-1-one (CID 82100261) is 2-[2-(cyclohexen-1-yl)ethylamino]-1-(4-ethylphenyl)propan-1-one.
What is the SMILES notation for 2-[2-(cyclohexen-1-yl)ethylamino]-1-(4-ethylphenyl)propan-1-one?
The canonical SMILES for 2-[2-(cyclohexen-1-yl)ethylamino]-1-(4-ethylphenyl)propan-1-one is CCc1ccc(C(=O)C(C)NCCC2=CCCCC2)cc1.
What is the InChIKey of 2-[2-(cyclohexen-1-yl)ethylamino]-1-(4-ethylphenyl)propan-1-one?
The InChIKey is MIBZNBRDEUGSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO/c1-3-16-9-11-18(12-10-16)19(21)15(2)20-14-13-17-7-5-4-6-8-17/h7,9-12,15,20H,3-6,8,13-14H2,1-2H3.
What are the key properties of 2-[2-(cyclohexen-1-yl)ethylamino]-1-(4-ethylphenyl)propan-1-one?
2-[2-(cyclohexen-1-yl)ethylamino]-1-(4-ethylphenyl)propan-1-one has a molecular weight of 285.43 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclohexen-1-yl)ethylamino]-1-(4-ethylphenyl)propan-1-one is sourced from PubChem (CID 82100261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).