(NE)-N-[[4-[(4-chlorophenyl)-(dimethylamino)methyl]cyclohexyl]methylidene]hydroxylamine

C16H23ClN2O — CID 24739573

IUPAC(NE)-N-[[4-[(4-chlorophenyl)-(dimethylamino)methyl]cyclohexyl]methylidene]hydroxylamine
SMILESCN(C)C(c1ccc(Cl)cc1)C1CCC(/C=N/O)CC1
InChIInChI=1S/C16H23ClN2O/c1-19(2)16(14-7-9-15(17)10-8-14)13-5-3-12(4-6-13)11-18-20/h7-13,16,20H,3-6H2,1-2H3/b18-11+
InChIKeyXBSBAXBZAHOOII-WOJGMQOQSA-N
MW294.83 g/mol
LogP4.21
Rot. Bonds4

About (NE)-N-[[4-[(4-chlorophenyl)-(dimethylamino)methyl]cyclohexyl]methylidene]hydroxylamine

(NE)-N-[[4-[(4-chlorophenyl)-(dimethylamino)methyl]cyclohexyl]methylidene]hydroxylamine (PubChem CID 24739573) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is (NE)-N-[[4-[(4-chlorophenyl)-(dimethylamino)methyl]cyclohexyl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[[4-[(4-chlorophenyl)-(dimethylamino)methyl]cyclohexyl]methylidene]hydroxylamine
PubChem CID24739573
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC Name(NE)-N-[[4-[(4-chlorophenyl)-(dimethylamino)methyl]cyclohexyl]methylidene]hydroxylamine
SMILESCN(C)C(c1ccc(Cl)cc1)C1CCC(/C=N/O)CC1
InChIInChI=1S/C16H23ClN2O/c1-19(2)16(14-7-9-15(17)10-8-14)13-5-3-12(4-6-13)11-18-20/h7-13,16,20H,3-6H2,1-2H3/b18-11+
InChIKeyXBSBAXBZAHOOII-WOJGMQOQSA-N
XLogP4.21
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NE)-N-[[4-[(4-chlorophenyl)-(dimethylamino)methyl]cyclohexyl]methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[[4-[(4-chlorophenyl)-(dimethylamino)methyl]cyclohexyl]methylidene]hydroxylamine (CID 24739573) is (NE)-N-[[4-[(4-chlorophenyl)-(dimethylamino)methyl]cyclohexyl]methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[[4-[(4-chlorophenyl)-(dimethylamino)methyl]cyclohexyl]methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[[4-[(4-chlorophenyl)-(dimethylamino)methyl]cyclohexyl]methylidene]hydroxylamine is CN(C)C(c1ccc(Cl)cc1)C1CCC(/C=N/O)CC1.
What is the InChIKey of (NE)-N-[[4-[(4-chlorophenyl)-(dimethylamino)methyl]cyclohexyl]methylidene]hydroxylamine?
The InChIKey is XBSBAXBZAHOOII-WOJGMQOQSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-19(2)16(14-7-9-15(17)10-8-14)13-5-3-12(4-6-13)11-18-20/h7-13,16,20H,3-6H2,1-2H3/b18-11+.
What are the key properties of (NE)-N-[[4-[(4-chlorophenyl)-(dimethylamino)methyl]cyclohexyl]methylidene]hydroxylamine?
(NE)-N-[[4-[(4-chlorophenyl)-(dimethylamino)methyl]cyclohexyl]methylidene]hydroxylamine has a molecular weight of 294.83 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[[4-[(4-chlorophenyl)-(dimethylamino)methyl]cyclohexyl]methylidene]hydroxylamine is sourced from PubChem (CID 24739573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).