(E)-1-(4-heptylphenyl)-N-[(E)-[4-[(E)-pent-3-enyl]phenyl]methylideneamino]methanimine

C26H34N2 — CID 19368303

IUPAC(E)-1-(4-heptylphenyl)-N-[(E)-[4-[(E)-pent-3-enyl]phenyl]methylideneamino]methanimine
SMILESC/C=C/CCc1ccc(/C=N/N=C/c2ccc(CCCCCCC)cc2)cc1
InChIInChI=1S/C26H34N2/c1-3-5-7-8-10-12-24-15-19-26(20-16-24)22-28-27-21-25-17-13-23(14-18-25)11-9-6-4-2/h4,6,13-22H,3,5,7-12H2,1-2H3/b6-4+,27-21+,28-22+
InChIKeyQHCWGCVRYQQLPN-CKYOJPNNSA-N
MW374.57 g/mol
LogP7.16
Rot. Bonds12

About (E)-1-(4-heptylphenyl)-N-[(E)-[4-[(E)-pent-3-enyl]phenyl]methylideneamino]methanimine

(E)-1-(4-heptylphenyl)-N-[(E)-[4-[(E)-pent-3-enyl]phenyl]methylideneamino]methanimine (PubChem CID 19368303) has the molecular formula C26H34N2 and a molecular weight of 374.57 g/mol. Its IUPAC name is (E)-1-(4-heptylphenyl)-N-[(E)-[4-[(E)-pent-3-enyl]phenyl]methylideneamino]methanimine.

Molecular Properties

Compound Name(E)-1-(4-heptylphenyl)-N-[(E)-[4-[(E)-pent-3-enyl]phenyl]methylideneamino]methanimine
PubChem CID19368303
Molecular FormulaC26H34N2
Molecular Weight374.57 g/mol
Exact Mass374.27
IUPAC Name(E)-1-(4-heptylphenyl)-N-[(E)-[4-[(E)-pent-3-enyl]phenyl]methylideneamino]methanimine
SMILESC/C=C/CCc1ccc(/C=N/N=C/c2ccc(CCCCCCC)cc2)cc1
InChIInChI=1S/C26H34N2/c1-3-5-7-8-10-12-24-15-19-26(20-16-24)22-28-27-21-25-17-13-23(14-18-25)11-9-6-4-2/h4,6,13-22H,3,5,7-12H2,1-2H3/b6-4+,27-21+,28-22+
InChIKeyQHCWGCVRYQQLPN-CKYOJPNNSA-N
XLogP7.16
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.57
LogP ≤ 57.16
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (E)-1-(4-heptylphenyl)-N-[(E)-[4-[(E)-pent-3-enyl]phenyl]methylideneamino]methanimine with MolForge

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Related Compounds

N-[(4-pent-3-enylphenyl)methylideneamino]-1-(4-propylphenyl)methanimine
CID 54210930
N-[[4-[(E)-hex-3-enyl]phenyl]methylideneamino]-1-(4-pentylphenyl)methanimine
CID 70190206
1-(4-methylphenyl)-N-[[4-[(E)-pent-3-enyl]phenyl]methylideneamino]methanimine
CID 70190165
(E)-N-[(E)-(4-hexylphenyl)methylideneamino]-1-(4-methylphenyl)methanimine
CID 20845118
2-[(E)-(4-octylphenyl)methylideneamino]guanidine
CID 166950257
1-(4-butylphenyl)-N-[(4-fluorophenyl)methylideneamino]methanimine
CID 140983623
1-(4-hexylphenyl)-N-[4-[(4-hexylphenyl)methylideneamino]phenyl]methanimine
CID 71385175
1-pent-3-enyl-4-propylbenzene
CID 72599491
N-[(3,5-difluoro-4-methylphenyl)methylideneamino]-1-(4-pentylphenyl)methanimine
CID 54337056
1-hept-3-enyl-4-pent-3-enylbenzene
CID 123755117
(E)-N-[(E)-(3-fluoro-4-methylphenyl)methylideneamino]-1-(4-pentylphenyl)methanimine
CID 19368301
1-decyl-4-hept-1-enylbenzene
CID 173045869

Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-heptylphenyl)-N-[(E)-[4-[(E)-pent-3-enyl]phenyl]methylideneamino]methanimine?
The IUPAC name of (E)-1-(4-heptylphenyl)-N-[(E)-[4-[(E)-pent-3-enyl]phenyl]methylideneamino]methanimine (CID 19368303) is (E)-1-(4-heptylphenyl)-N-[(E)-[4-[(E)-pent-3-enyl]phenyl]methylideneamino]methanimine.
What is the SMILES notation for (E)-1-(4-heptylphenyl)-N-[(E)-[4-[(E)-pent-3-enyl]phenyl]methylideneamino]methanimine?
The canonical SMILES for (E)-1-(4-heptylphenyl)-N-[(E)-[4-[(E)-pent-3-enyl]phenyl]methylideneamino]methanimine is C/C=C/CCc1ccc(/C=N/N=C/c2ccc(CCCCCCC)cc2)cc1.
What is the InChIKey of (E)-1-(4-heptylphenyl)-N-[(E)-[4-[(E)-pent-3-enyl]phenyl]methylideneamino]methanimine?
The InChIKey is QHCWGCVRYQQLPN-CKYOJPNNSA-N. The full InChI is InChI=1S/C26H34N2/c1-3-5-7-8-10-12-24-15-19-26(20-16-24)22-28-27-21-25-17-13-23(14-18-25)11-9-6-4-2/h4,6,13-22H,3,5,7-12H2,1-2H3/b6-4+,27-21+,28-22+.
What are the key properties of (E)-1-(4-heptylphenyl)-N-[(E)-[4-[(E)-pent-3-enyl]phenyl]methylideneamino]methanimine?
(E)-1-(4-heptylphenyl)-N-[(E)-[4-[(E)-pent-3-enyl]phenyl]methylideneamino]methanimine has a molecular weight of 374.57 g/mol, XLogP of 7.16, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-heptylphenyl)-N-[(E)-[4-[(E)-pent-3-enyl]phenyl]methylideneamino]methanimine is sourced from PubChem (CID 19368303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).