(4E)-4-ethyl-N-[(2Z,5Z)-4-iminohepta-2,5-dien-3-yl]-7-methylocta-4,6-dien-3-imine

C18H28N2 — CID 145498120

IUPAC(4E)-4-ethyl-N-[(2Z,5Z)-4-iminohepta-2,5-dien-3-yl]-7-methylocta-4,6-dien-3-imine
SMILES[H]/N=C(\C=C/C)C(=C/C)/N=C(CC)\C(=C\C=C(C)C)CC
InChIInChI=1S/C18H28N2/c1-7-11-16(19)18(10-4)20-17(9-3)15(8-2)13-12-14(5)6/h7,10-13,19H,8-9H2,1-6H3/b11-7-,15-13+,18-10-,19-16+,20-17+
InChIKeyPWZAJHDFIHSGJH-OFNIQQPDSA-N
MW272.44 g/mol
LogP5.64
Rot. Bonds7

About (4E)-4-ethyl-N-[(2Z,5Z)-4-iminohepta-2,5-dien-3-yl]-7-methylocta-4,6-dien-3-imine

(4E)-4-ethyl-N-[(2Z,5Z)-4-iminohepta-2,5-dien-3-yl]-7-methylocta-4,6-dien-3-imine (PubChem CID 145498120) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is (4E)-4-ethyl-N-[(2Z,5Z)-4-iminohepta-2,5-dien-3-yl]-7-methylocta-4,6-dien-3-imine.

Molecular Properties

Compound Name(4E)-4-ethyl-N-[(2Z,5Z)-4-iminohepta-2,5-dien-3-yl]-7-methylocta-4,6-dien-3-imine
PubChem CID145498120
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name(4E)-4-ethyl-N-[(2Z,5Z)-4-iminohepta-2,5-dien-3-yl]-7-methylocta-4,6-dien-3-imine
SMILES[H]/N=C(\C=C/C)C(=C/C)/N=C(CC)\C(=C\C=C(C)C)CC
InChIInChI=1S/C18H28N2/c1-7-11-16(19)18(10-4)20-17(9-3)15(8-2)13-12-14(5)6/h7,10-13,19H,8-9H2,1-6H3/b11-7-,15-13+,18-10-,19-16+,20-17+
InChIKeyPWZAJHDFIHSGJH-OFNIQQPDSA-N
XLogP5.64
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.44
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4E)-4-ethyl-N-[(2Z,5Z)-4-iminohepta-2,5-dien-3-yl]-7-methylocta-4,6-dien-3-imine with MolForge

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

Launch Full Analysis

Related Compounds

(3E)-3-fluoro-4-[[(5Z)-6-methyl-3-methylidene-4-propan-2-ylideneocta-5,7-dien-2-ylidene]amino]buta-1,3-dien-2-amine
CID 130336733
4-ethyl-2-[(E,3Z)-3-(4-ethyl-3,5-dimethylpyrrol-1-ium-2-ylidene)prop-1-enyl]-3,5-dimethyl-3H-pyrrole
CID 58652211
(Z)-3-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]but-2-en-2-amine
CID 68086216
3-tert-butyl-1-N-[(Z)-pent-2-en-3-yl]cyclohexa-3,5-diene-1,2-diimine
CID 69090791
3-Ethylporphyrin-2-amine
CID 70365468
(2E,4Z)-5-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]hepta-2,4-dien-4-amine
CID 88224971
3-ethyl-2-N-methylcyclohexa-3,5-diene-1,2-diimine
CID 89231732
(5Z,6E)-2-methyl-6-prop-2-enylidene-3-propyl-5-propylidenepyridine
CID 89256584
(2Z,4E)-2-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]hexa-2,4-dien-3-amine
CID 89441659
(Z)-2-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]hex-2-en-3-amine
CID 89441676
(Z,4Z)-4-[4-[(Z)-3-iminobut-1-enyl]-5-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene]-3-methylbut-2-en-2-amine
CID 89961061
(Z,4Z)-4-[4-[(Z)-3-imino-2-methylbut-1-enyl]-5-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene]-3-methylbut-2-en-2-amine
CID 89961063

Frequently Asked Questions

What is the IUPAC name of (4E)-4-ethyl-N-[(2Z,5Z)-4-iminohepta-2,5-dien-3-yl]-7-methylocta-4,6-dien-3-imine?
The IUPAC name of (4E)-4-ethyl-N-[(2Z,5Z)-4-iminohepta-2,5-dien-3-yl]-7-methylocta-4,6-dien-3-imine (CID 145498120) is (4E)-4-ethyl-N-[(2Z,5Z)-4-iminohepta-2,5-dien-3-yl]-7-methylocta-4,6-dien-3-imine.
What is the SMILES notation for (4E)-4-ethyl-N-[(2Z,5Z)-4-iminohepta-2,5-dien-3-yl]-7-methylocta-4,6-dien-3-imine?
The canonical SMILES for (4E)-4-ethyl-N-[(2Z,5Z)-4-iminohepta-2,5-dien-3-yl]-7-methylocta-4,6-dien-3-imine is [H]/N=C(\C=C/C)C(=C/C)/N=C(CC)\C(=C\C=C(C)C)CC.
What is the InChIKey of (4E)-4-ethyl-N-[(2Z,5Z)-4-iminohepta-2,5-dien-3-yl]-7-methylocta-4,6-dien-3-imine?
The InChIKey is PWZAJHDFIHSGJH-OFNIQQPDSA-N. The full InChI is InChI=1S/C18H28N2/c1-7-11-16(19)18(10-4)20-17(9-3)15(8-2)13-12-14(5)6/h7,10-13,19H,8-9H2,1-6H3/b11-7-,15-13+,18-10-,19-16+,20-17+.
What are the key properties of (4E)-4-ethyl-N-[(2Z,5Z)-4-iminohepta-2,5-dien-3-yl]-7-methylocta-4,6-dien-3-imine?
(4E)-4-ethyl-N-[(2Z,5Z)-4-iminohepta-2,5-dien-3-yl]-7-methylocta-4,6-dien-3-imine has a molecular weight of 272.44 g/mol, XLogP of 5.64, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-ethyl-N-[(2Z,5Z)-4-iminohepta-2,5-dien-3-yl]-7-methylocta-4,6-dien-3-imine is sourced from PubChem (CID 145498120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).