(2E,4E)-N-phenylocta-2,4,7-trien-1-imine

C14H15N — CID 140586611

IUPAC(2E,4E)-N-phenylocta-2,4,7-trien-1-imine
SMILESC=CC/C=C/C=C/C=N/c1ccccc1
InChIInChI=1S/C14H15N/c1-2-3-4-5-6-10-13-15-14-11-8-7-9-12-14/h2,4-13H,1,3H2/b5-4+,10-6+,15-13+
InChIKeyVQHWAQSTHODHQJ-LSOIJXAUSA-N
MW197.28 g/mol
LogP4.08
Rot. Bonds5

About (2E,4E)-N-phenylocta-2,4,7-trien-1-imine

(2E,4E)-N-phenylocta-2,4,7-trien-1-imine (PubChem CID 140586611) has the molecular formula C14H15N and a molecular weight of 197.28 g/mol. Its IUPAC name is (2E,4E)-N-phenylocta-2,4,7-trien-1-imine.

Molecular Properties

Compound Name(2E,4E)-N-phenylocta-2,4,7-trien-1-imine
PubChem CID140586611
Molecular FormulaC14H15N
Molecular Weight197.28 g/mol
Exact Mass197.12
IUPAC Name(2E,4E)-N-phenylocta-2,4,7-trien-1-imine
SMILESC=CC/C=C/C=C/C=N/c1ccccc1
InChIInChI=1S/C14H15N/c1-2-3-4-5-6-10-13-15-14-11-8-7-9-12-14/h2,4-13H,1,3H2/b5-4+,10-6+,15-13+
InChIKeyVQHWAQSTHODHQJ-LSOIJXAUSA-N
XLogP4.08
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-phenylpenta-2,4-dien-1-imine
CID 123454989
(E)-N,N'-diphenylpent-2-ene-1,5-diimine
CID 5473746
(E)-N,4-diphenylbut-2-en-1-imine
CID 58165742
N-[(1E,3E)-5-phenyliminopenta-1,3-dienyl]hydroxylamine
CID 10726275
(Z)-3-phenyliminoprop-1-en-1-amine
CID 118014655
(Z)-N,3-diphenylprop-2-en-1-imine
CID 40507555
N-[(1E)-5-phenyliminopenta-1,3-dienyl]aniline;hydrochloride
CID 161064876
hydron;N-[(1E)-5-phenyliminopenta-1,3-dienyl]aniline;chloride
CID 174144711
(E)-3-(4-bromophenyl)-N-phenylprop-2-en-1-imine
CID 135076458
bromopalladium(1+);carbanide;N,N'-diphenylethane-1,2-diimine
CID 22968105
N-methyl-N'-phenylethane-1,2-diimine
CID 21014566
N-(1-phenylbuta-1,3-dien-2-yl)hexa-2,5-dien-1-imine
CID 123631335

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-phenylocta-2,4,7-trien-1-imine?
The IUPAC name of (2E,4E)-N-phenylocta-2,4,7-trien-1-imine (CID 140586611) is (2E,4E)-N-phenylocta-2,4,7-trien-1-imine.
What is the SMILES notation for (2E,4E)-N-phenylocta-2,4,7-trien-1-imine?
The canonical SMILES for (2E,4E)-N-phenylocta-2,4,7-trien-1-imine is C=CC/C=C/C=C/C=N/c1ccccc1.
What is the InChIKey of (2E,4E)-N-phenylocta-2,4,7-trien-1-imine?
The InChIKey is VQHWAQSTHODHQJ-LSOIJXAUSA-N. The full InChI is InChI=1S/C14H15N/c1-2-3-4-5-6-10-13-15-14-11-8-7-9-12-14/h2,4-13H,1,3H2/b5-4+,10-6+,15-13+.
What are the key properties of (2E,4E)-N-phenylocta-2,4,7-trien-1-imine?
(2E,4E)-N-phenylocta-2,4,7-trien-1-imine has a molecular weight of 197.28 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-phenylocta-2,4,7-trien-1-imine is sourced from PubChem (CID 140586611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).