(5R)-3-cyclohexylimino-5-phenylcyclohexan-1-one

C18H23NO — CID 7065476

IUPAC(5R)-3-cyclohexylimino-5-phenylcyclohexan-1-one
SMILESO=C1C/C(=N\C2CCCCC2)C[C@@H](c2ccccc2)C1
InChIInChI=1S/C18H23NO/c20-18-12-15(14-7-3-1-4-8-14)11-17(13-18)19-16-9-5-2-6-10-16/h1,3-4,7-8,15-16H,2,5-6,9-13H2/b19-17-/t15-/m1/s1
InChIKeyDEWVDMUXEOBUDW-KIJUOZEOSA-N
MW269.39 g/mol
LogP4.30
Rot. Bonds2

About (5R)-3-cyclohexylimino-5-phenylcyclohexan-1-one

(5R)-3-cyclohexylimino-5-phenylcyclohexan-1-one (PubChem CID 7065476) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is (5R)-3-cyclohexylimino-5-phenylcyclohexan-1-one.

Molecular Properties

Compound Name(5R)-3-cyclohexylimino-5-phenylcyclohexan-1-one
PubChem CID7065476
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name(5R)-3-cyclohexylimino-5-phenylcyclohexan-1-one
SMILESO=C1C/C(=N\C2CCCCC2)C[C@@H](c2ccccc2)C1
InChIInChI=1S/C18H23NO/c20-18-12-15(14-7-3-1-4-8-14)11-17(13-18)19-16-9-5-2-6-10-16/h1,3-4,7-8,15-16H,2,5-6,9-13H2/b19-17-/t15-/m1/s1
InChIKeyDEWVDMUXEOBUDW-KIJUOZEOSA-N
XLogP4.30
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(2E)-2-(1-hydroxypropylidene)-5-phenyl-3-propan-2-yliminocyclohexan-1-one
CID 135516246
1-(alpha-Acetylbenzyl)-3,3-dimethyl-3,4-dihydroisoquinoline
CID 78436461
Diphenyl-6-Dimethylamino-3-Heptanon
CID 129628096
2-(1-Hydroxypropylidene)-5-phenyl-3-propan-2-yliminocyclohexan-1-one
CID 135529277
9-(3-fluorophenyl)-3,4,5,6,7,8,8a,9-octahydro-2H-acridin-1-one
CID 54149340
5-(2-Fluorophenyl)-4-(propan-2-ylideneamino)pentan-2-one
CID 90701796
1-[6-(4-fluorophenyl)-4,4,5-trimethyl-3,4a,5,6-tetrahydro-2H-quinolin-7-yl]ethanone
CID 91057443
6-(2-Fluorophenyl)-2-methyl-5-(propan-2-ylideneamino)hexan-3-one
CID 91118469
1-cyclohexyl-2-(7-fluoro-3,3-dimethyl-4H-isoquinolin-1-yl)ethanone
CID 91138069
1-cyclohexyl-2-(6-fluoro-3,3-dimethyl-4H-isoquinolin-1-yl)ethanone
CID 91159180
6-(4-fluorophenyl)-3,5-dihydro-2H-pyridin-4-one
CID 123261302
6-(2-Fluorophenyl)-5-(propan-2-ylideneamino)hexan-3-one
CID 123362883

Frequently Asked Questions

What is the IUPAC name of (5R)-3-cyclohexylimino-5-phenylcyclohexan-1-one?
The IUPAC name of (5R)-3-cyclohexylimino-5-phenylcyclohexan-1-one (CID 7065476) is (5R)-3-cyclohexylimino-5-phenylcyclohexan-1-one.
What is the SMILES notation for (5R)-3-cyclohexylimino-5-phenylcyclohexan-1-one?
The canonical SMILES for (5R)-3-cyclohexylimino-5-phenylcyclohexan-1-one is O=C1C/C(=N\C2CCCCC2)C[C@@H](c2ccccc2)C1.
What is the InChIKey of (5R)-3-cyclohexylimino-5-phenylcyclohexan-1-one?
The InChIKey is DEWVDMUXEOBUDW-KIJUOZEOSA-N. The full InChI is InChI=1S/C18H23NO/c20-18-12-15(14-7-3-1-4-8-14)11-17(13-18)19-16-9-5-2-6-10-16/h1,3-4,7-8,15-16H,2,5-6,9-13H2/b19-17-/t15-/m1/s1.
What are the key properties of (5R)-3-cyclohexylimino-5-phenylcyclohexan-1-one?
(5R)-3-cyclohexylimino-5-phenylcyclohexan-1-one has a molecular weight of 269.39 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-cyclohexylimino-5-phenylcyclohexan-1-one is sourced from PubChem (CID 7065476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).