(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'}

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Related Compounds

N-[1-hydroxyimino-1-(4-methylphenyl)butan-2-ylidene]hydroxylamine
CID 135541210
(1Z,5E,7Z)-3,4,9-trimethyl-1-(4-methylphenyl)undeca-1,5,7-triene-1,7-dithiol
CID 89063840
N-[1-(4-methylphenyl)propylidene]hydroxylamine
CID 7174004
(NE)-N-[(1E)-1-(4-butan-2-ylphenyl)-1-hydroxyiminopropan-2-ylidene]hydroxylamine
CID 166591693
(Z)-3-methyl-2-(4-methylphenyl)pent-1-en-1-ol
CID 177405347
4-[(2E,4E)-4-(4-methylphenyl)hexa-2,4-dien-3-yl]phenol
CID 59197895
(3E)-1,1,1-trifluoro-3-hydroxyimino-3-(4-methylphenyl)propan-2-one
CID 10681013
(NE)-N-[1-(4-methylphenyl)butylidene]hydroxylamine
CID 12707912
[2-hydrazinylidene-1,2-bis(4-methylphenyl)ethylidene]hydrazine
CID 175459980
butane;2-methylbutane;4-methylphenol
CID 155694307
(NZ)-N-[(4-methylphenyl)-phenylmethylidene]hydroxylamine
CID 6303063
(NZ)-N-[(1Z)-1-hydroxyimino-1-(4-propan-2-ylphenyl)hexan-2-ylidene]hydroxylamine
CID 136848910

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).