(NE)-N-[2-(methylamino)-2-phenylcyclohexylidene]hydroxylamine

C13H18N2O — CID 138976612

IUPAC(NE)-N-[2-(methylamino)-2-phenylcyclohexylidene]hydroxylamine
SMILESCNC1(c2ccccc2)CCCC/C1=N\O
InChIInChI=1S/C13H18N2O/c1-14-13(11-7-3-2-4-8-11)10-6-5-9-12(13)15-16/h2-4,7-8,14,16H,5-6,9-10H2,1H3/b15-12+
InChIKeyUXJUPKZBEOIAPQ-NTCAYCPXSA-N
MW218.30 g/mol
LogP2.51
Rot. Bonds2

About (NE)-N-[2-(methylamino)-2-phenylcyclohexylidene]hydroxylamine

(NE)-N-[2-(methylamino)-2-phenylcyclohexylidene]hydroxylamine (PubChem CID 138976612) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is (NE)-N-[2-(methylamino)-2-phenylcyclohexylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[2-(methylamino)-2-phenylcyclohexylidene]hydroxylamine
PubChem CID138976612
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name(NE)-N-[2-(methylamino)-2-phenylcyclohexylidene]hydroxylamine
SMILESCNC1(c2ccccc2)CCCC/C1=N\O
InChIInChI=1S/C13H18N2O/c1-14-13(11-7-3-2-4-8-11)10-6-5-9-12(13)15-16/h2-4,7-8,14,16H,5-6,9-10H2,1H3/b15-12+
InChIKeyUXJUPKZBEOIAPQ-NTCAYCPXSA-N
XLogP2.51
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.51
H-Bond Donors ≤ 52
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'}

Analyze (NE)-N-[2-(methylamino)-2-phenylcyclohexylidene]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(NZ)-N-(2,2-diphenylcyclohexylidene)hydroxylamine
CID 102069739
(2R)-2-(methylamino)-2-phenylcyclohexan-1-one
CID 94478337
2-(methylamino)-2-phenylcyclohexan-1-one;hydrochloride
CID 18705340
(NZ)-N-(2-methoxy-2-phenylcycloheptylidene)hydroxylamine
CID 6152169
N-(2-benzyl-2-methylcyclohexylidene)hydroxylamine
CID 71344449
(2E)-2-methoxyimino-N-methyl-1-phenylcyclohexane-1-carbothioamide
CID 18649768
1-(2-chlorophenyl)-2-methoxyimino-N-methylcyclohexan-1-amine
CID 89315326
3-[(1S,2E)-2-hydroxyimino-1-phenylcyclohexyl]propanehydrazide
CID 92524479
cyclohexane;N-methyl-1-phenylcyclopropan-1-amine
CID 156796665
(2E)-1-(2-chlorophenyl)-N-methyl-2-phenylmethoxyiminocyclohexan-1-amine
CID 140649030
(2Z)-2-hydroxyimino-N-methyl-1-quinolin-3-ylcyclohexane-1-carbothioamide
CID 19876073
(NE)-N-(1-methyl-3,3-diphenylpiperidin-4-ylidene)hydroxylamine
CID 13440410

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[2-(methylamino)-2-phenylcyclohexylidene]hydroxylamine?
The IUPAC name of (NE)-N-[2-(methylamino)-2-phenylcyclohexylidene]hydroxylamine (CID 138976612) is (NE)-N-[2-(methylamino)-2-phenylcyclohexylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[2-(methylamino)-2-phenylcyclohexylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[2-(methylamino)-2-phenylcyclohexylidene]hydroxylamine is CNC1(c2ccccc2)CCCC/C1=N\O.
What is the InChIKey of (NE)-N-[2-(methylamino)-2-phenylcyclohexylidene]hydroxylamine?
The InChIKey is UXJUPKZBEOIAPQ-NTCAYCPXSA-N. The full InChI is InChI=1S/C13H18N2O/c1-14-13(11-7-3-2-4-8-11)10-6-5-9-12(13)15-16/h2-4,7-8,14,16H,5-6,9-10H2,1H3/b15-12+.
What are the key properties of (NE)-N-[2-(methylamino)-2-phenylcyclohexylidene]hydroxylamine?
(NE)-N-[2-(methylamino)-2-phenylcyclohexylidene]hydroxylamine has a molecular weight of 218.30 g/mol, XLogP of 2.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[2-(methylamino)-2-phenylcyclohexylidene]hydroxylamine is sourced from PubChem (CID 138976612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).