(E)-N-[(E)-(4-hexylphenyl)methylideneamino]-1-(4-methylphenyl)methanimine

C21H26N2 — CID 20845118

IUPAC(E)-N-[(E)-(4-hexylphenyl)methylideneamino]-1-(4-methylphenyl)methanimine
SMILESCCCCCCc1ccc(/C=N/N=C/c2ccc(C)cc2)cc1
InChIInChI=1S/C21H26N2/c1-3-4-5-6-7-19-12-14-21(15-13-19)17-23-22-16-20-10-8-18(2)9-11-20/h8-17H,3-7H2,1-2H3/b22-16+,23-17+
InChIKeyCMRGZQUTXMKVPZ-LKNRODPVSA-N
MW306.45 g/mol
LogP5.57
Rot. Bonds8

About (E)-N-[(E)-(4-hexylphenyl)methylideneamino]-1-(4-methylphenyl)methanimine

(E)-N-[(E)-(4-hexylphenyl)methylideneamino]-1-(4-methylphenyl)methanimine (PubChem CID 20845118) has the molecular formula C21H26N2 and a molecular weight of 306.45 g/mol. Its IUPAC name is (E)-N-[(E)-(4-hexylphenyl)methylideneamino]-1-(4-methylphenyl)methanimine.

Molecular Properties

Compound Name(E)-N-[(E)-(4-hexylphenyl)methylideneamino]-1-(4-methylphenyl)methanimine
PubChem CID20845118
Molecular FormulaC21H26N2
Molecular Weight306.45 g/mol
Exact Mass306.21
IUPAC Name(E)-N-[(E)-(4-hexylphenyl)methylideneamino]-1-(4-methylphenyl)methanimine
SMILESCCCCCCc1ccc(/C=N/N=C/c2ccc(C)cc2)cc1
InChIInChI=1S/C21H26N2/c1-3-4-5-6-7-19-12-14-21(15-13-19)17-23-22-16-20-10-8-18(2)9-11-20/h8-17H,3-7H2,1-2H3/b22-16+,23-17+
InChIKeyCMRGZQUTXMKVPZ-LKNRODPVSA-N
XLogP5.57
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.45
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-octylbenzene
CID 11052746
(E)-1-(4-heptylphenyl)-N-[(E)-[4-[(E)-pent-3-enyl]phenyl]methylideneamino]methanimine
CID 19368303
N-[(3,5-difluoro-4-methylphenyl)methylideneamino]-1-(4-pentylphenyl)methanimine
CID 54337056
2-[(E)-(4-octylphenyl)methylideneamino]guanidine
CID 166950257
N-[[4-[(E)-hex-3-enyl]phenyl]methylideneamino]-1-(4-pentylphenyl)methanimine
CID 70190206
(E)-N-[(E)-(3-fluoro-4-methylphenyl)methylideneamino]-1-(4-pentylphenyl)methanimine
CID 19368301
(NZ)-N-[[4-(4-octylphenyl)phenyl]methylidene]hydroxylamine
CID 6139858
(E)-N-[(E)-(4-butyl-2-fluorophenyl)methylideneamino]-1-(4-methylphenyl)methanimine
CID 19368295
1-(4-butylphenyl)-N-[(4-fluorophenyl)methylideneamino]methanimine
CID 140983623
1-(4-hexylphenyl)-N-[4-[(4-hexylphenyl)methylideneamino]phenyl]methanimine
CID 71385175
1-hexyl-4-methylbenzene;toluene
CID 173071388
1-N,4-N-bis(4-methylphenyl)-1-N,4-N-bis(4-octylphenyl)benzene-1,4-diamine
CID 58273977

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(E)-(4-hexylphenyl)methylideneamino]-1-(4-methylphenyl)methanimine?
The IUPAC name of (E)-N-[(E)-(4-hexylphenyl)methylideneamino]-1-(4-methylphenyl)methanimine (CID 20845118) is (E)-N-[(E)-(4-hexylphenyl)methylideneamino]-1-(4-methylphenyl)methanimine.
What is the SMILES notation for (E)-N-[(E)-(4-hexylphenyl)methylideneamino]-1-(4-methylphenyl)methanimine?
The canonical SMILES for (E)-N-[(E)-(4-hexylphenyl)methylideneamino]-1-(4-methylphenyl)methanimine is CCCCCCc1ccc(/C=N/N=C/c2ccc(C)cc2)cc1.
What is the InChIKey of (E)-N-[(E)-(4-hexylphenyl)methylideneamino]-1-(4-methylphenyl)methanimine?
The InChIKey is CMRGZQUTXMKVPZ-LKNRODPVSA-N. The full InChI is InChI=1S/C21H26N2/c1-3-4-5-6-7-19-12-14-21(15-13-19)17-23-22-16-20-10-8-18(2)9-11-20/h8-17H,3-7H2,1-2H3/b22-16+,23-17+.
What are the key properties of (E)-N-[(E)-(4-hexylphenyl)methylideneamino]-1-(4-methylphenyl)methanimine?
(E)-N-[(E)-(4-hexylphenyl)methylideneamino]-1-(4-methylphenyl)methanimine has a molecular weight of 306.45 g/mol, XLogP of 5.57, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(E)-(4-hexylphenyl)methylideneamino]-1-(4-methylphenyl)methanimine is sourced from PubChem (CID 20845118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).