(NZ)-N-[(E)-4-methyl-1,2-bis(4-methylphenyl)hex-2-enylidene]hydroxylamine

C21H25NO — CID 142113819

IUPAC(NZ)-N-[(E)-4-methyl-1,2-bis(4-methylphenyl)hex-2-enylidene]hydroxylamine
SMILESCCC(C)/C=C(C(=N\O)/c1ccc(C)cc1)\c1ccc(C)cc1
InChIInChI=1S/C21H25NO/c1-5-15(2)14-20(18-10-6-16(3)7-11-18)21(22-23)19-12-8-17(4)9-13-19/h6-15,23H,5H2,1-4H3/b20-14+,22-21-
InChIKeyWCODRIUQIVBVNH-NJPMQTPOSA-N
MW307.44 g/mol
LogP5.61
Rot. Bonds5

About (NZ)-N-[(E)-4-methyl-1,2-bis(4-methylphenyl)hex-2-enylidene]hydroxylamine

(NZ)-N-[(E)-4-methyl-1,2-bis(4-methylphenyl)hex-2-enylidene]hydroxylamine (PubChem CID 142113819) has the molecular formula C21H25NO and a molecular weight of 307.44 g/mol. Its IUPAC name is (NZ)-N-[(E)-4-methyl-1,2-bis(4-methylphenyl)hex-2-enylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(E)-4-methyl-1,2-bis(4-methylphenyl)hex-2-enylidene]hydroxylamine
PubChem CID142113819
Molecular FormulaC21H25NO
Molecular Weight307.44 g/mol
Exact Mass307.19
IUPAC Name(NZ)-N-[(E)-4-methyl-1,2-bis(4-methylphenyl)hex-2-enylidene]hydroxylamine
SMILESCCC(C)/C=C(C(=N\O)/c1ccc(C)cc1)\c1ccc(C)cc1
InChIInChI=1S/C21H25NO/c1-5-15(2)14-20(18-10-6-16(3)7-11-18)21(22-23)19-12-8-17(4)9-13-19/h6-15,23H,5H2,1-4H3/b20-14+,22-21-
InChIKeyWCODRIUQIVBVNH-NJPMQTPOSA-N
XLogP5.61
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.44
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (NZ)-N-[(E)-4-methyl-1,2-bis(4-methylphenyl)hex-2-enylidene]hydroxylamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(E)-4-methyl-1,2-bis(4-methylphenyl)hex-2-enylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(E)-4-methyl-1,2-bis(4-methylphenyl)hex-2-enylidene]hydroxylamine (CID 142113819) is (NZ)-N-[(E)-4-methyl-1,2-bis(4-methylphenyl)hex-2-enylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(E)-4-methyl-1,2-bis(4-methylphenyl)hex-2-enylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(E)-4-methyl-1,2-bis(4-methylphenyl)hex-2-enylidene]hydroxylamine is CCC(C)/C=C(C(=N\O)/c1ccc(C)cc1)\c1ccc(C)cc1.
What is the InChIKey of (NZ)-N-[(E)-4-methyl-1,2-bis(4-methylphenyl)hex-2-enylidene]hydroxylamine?
The InChIKey is WCODRIUQIVBVNH-NJPMQTPOSA-N. The full InChI is InChI=1S/C21H25NO/c1-5-15(2)14-20(18-10-6-16(3)7-11-18)21(22-23)19-12-8-17(4)9-13-19/h6-15,23H,5H2,1-4H3/b20-14+,22-21-.
What are the key properties of (NZ)-N-[(E)-4-methyl-1,2-bis(4-methylphenyl)hex-2-enylidene]hydroxylamine?
(NZ)-N-[(E)-4-methyl-1,2-bis(4-methylphenyl)hex-2-enylidene]hydroxylamine has a molecular weight of 307.44 g/mol, XLogP of 5.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(E)-4-methyl-1,2-bis(4-methylphenyl)hex-2-enylidene]hydroxylamine is sourced from PubChem (CID 142113819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).