(5S)-3-[2-(dimethylamino)ethylimino]-5-phenylcyclohexan-1-one

C16H22N2O — CID 7305505

IUPAC(5S)-3-[2-(dimethylamino)ethylimino]-5-phenylcyclohexan-1-one
SMILESCN(C)CC/N=C1\CC(=O)C[C@@H](c2ccccc2)C1
InChIInChI=1S/C16H22N2O/c1-18(2)9-8-17-15-10-14(11-16(19)12-15)13-6-4-3-5-7-13/h3-7,14H,8-12H2,1-2H3/b17-15-/t14-/m0/s1
InChIKeyIDPYESMYJZUWDV-MBUFOBGISA-N
MW258.37 g/mol
LogP2.53
Rot. Bonds4

About (5S)-3-[2-(dimethylamino)ethylimino]-5-phenylcyclohexan-1-one

(5S)-3-[2-(dimethylamino)ethylimino]-5-phenylcyclohexan-1-one (PubChem CID 7305505) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is (5S)-3-[2-(dimethylamino)ethylimino]-5-phenylcyclohexan-1-one.

Molecular Properties

Compound Name(5S)-3-[2-(dimethylamino)ethylimino]-5-phenylcyclohexan-1-one
PubChem CID7305505
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name(5S)-3-[2-(dimethylamino)ethylimino]-5-phenylcyclohexan-1-one
SMILESCN(C)CC/N=C1\CC(=O)C[C@@H](c2ccccc2)C1
InChIInChI=1S/C16H22N2O/c1-18(2)9-8-17-15-10-14(11-16(19)12-15)13-6-4-3-5-7-13/h3-7,14H,8-12H2,1-2H3/b17-15-/t14-/m0/s1
InChIKeyIDPYESMYJZUWDV-MBUFOBGISA-N
XLogP2.53
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-3-[2-(dimethylamino)ethylimino]-5-phenylcyclohexan-1-one?
The IUPAC name of (5S)-3-[2-(dimethylamino)ethylimino]-5-phenylcyclohexan-1-one (CID 7305505) is (5S)-3-[2-(dimethylamino)ethylimino]-5-phenylcyclohexan-1-one.
What is the SMILES notation for (5S)-3-[2-(dimethylamino)ethylimino]-5-phenylcyclohexan-1-one?
The canonical SMILES for (5S)-3-[2-(dimethylamino)ethylimino]-5-phenylcyclohexan-1-one is CN(C)CC/N=C1\CC(=O)C[C@@H](c2ccccc2)C1.
What is the InChIKey of (5S)-3-[2-(dimethylamino)ethylimino]-5-phenylcyclohexan-1-one?
The InChIKey is IDPYESMYJZUWDV-MBUFOBGISA-N. The full InChI is InChI=1S/C16H22N2O/c1-18(2)9-8-17-15-10-14(11-16(19)12-15)13-6-4-3-5-7-13/h3-7,14H,8-12H2,1-2H3/b17-15-/t14-/m0/s1.
What are the key properties of (5S)-3-[2-(dimethylamino)ethylimino]-5-phenylcyclohexan-1-one?
(5S)-3-[2-(dimethylamino)ethylimino]-5-phenylcyclohexan-1-one has a molecular weight of 258.37 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[2-(dimethylamino)ethylimino]-5-phenylcyclohexan-1-one is sourced from PubChem (CID 7305505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).