(4Z)-4-ethyl-2-N-(3-methylpent-2-enyl)-5-(2-methylprop-2-enyl)nona-4,7-diene-2,3-diimine

C21H34N2 — CID 123742269

IUPAC(4Z)-4-ethyl-2-N-(3-methylpent-2-enyl)-5-(2-methylprop-2-enyl)nona-4,7-diene-2,3-diimine
SMILES[H]/N=C(C(/CC)=C(/CC=CC)CC(=C)C)\C(C)=N\CC=C(C)CC
InChIInChI=1S/C21H34N2/c1-8-11-12-19(15-16(4)5)20(10-3)21(22)18(7)23-14-13-17(6)9-2/h8,11,13,22H,4,9-10,12,14-15H2,1-3,5-7H3/b11-8?,17-13?,20-19-,22-21+,23-18+
InChIKeyUJTHGXVASHPBLA-HHKGCJPASA-N
MW314.52 g/mol
LogP6.46
Rot. Bonds10

About (4Z)-4-ethyl-2-N-(3-methylpent-2-enyl)-5-(2-methylprop-2-enyl)nona-4,7-diene-2,3-diimine

(4Z)-4-ethyl-2-N-(3-methylpent-2-enyl)-5-(2-methylprop-2-enyl)nona-4,7-diene-2,3-diimine (PubChem CID 123742269) has the molecular formula C21H34N2 and a molecular weight of 314.52 g/mol. Its IUPAC name is (4Z)-4-ethyl-2-N-(3-methylpent-2-enyl)-5-(2-methylprop-2-enyl)nona-4,7-diene-2,3-diimine.

Molecular Properties

Compound Name(4Z)-4-ethyl-2-N-(3-methylpent-2-enyl)-5-(2-methylprop-2-enyl)nona-4,7-diene-2,3-diimine
PubChem CID123742269
Molecular FormulaC21H34N2
Molecular Weight314.52 g/mol
Exact Mass314.27
IUPAC Name(4Z)-4-ethyl-2-N-(3-methylpent-2-enyl)-5-(2-methylprop-2-enyl)nona-4,7-diene-2,3-diimine
SMILES[H]/N=C(C(/CC)=C(/CC=CC)CC(=C)C)\C(C)=N\CC=C(C)CC
InChIInChI=1S/C21H34N2/c1-8-11-12-19(15-16(4)5)20(10-3)21(22)18(7)23-14-13-17(6)9-2/h8,11,13,22H,4,9-10,12,14-15H2,1-3,5-7H3/b11-8?,17-13?,20-19-,22-21+,23-18+
InChIKeyUJTHGXVASHPBLA-HHKGCJPASA-N
XLogP6.46
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.52
LogP ≤ 56.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (4Z)-4-ethyl-2-N-(3-methylpent-2-enyl)-5-(2-methylprop-2-enyl)nona-4,7-diene-2,3-diimine 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

N-ethyl-3-ethylidenehexan-2-imine
CID 91288958
N,4-diethyl-3,6-dimethylocta-3,6-dien-2-imine
CID 123213571
(3Z)-9-methyl-2-N-(4-methyldeca-2,3,8-trienyl)nonadeca-3,9,18-triene-2,14-diimine
CID 123267723
(Z)-1-N-ethyl-2-N-methyl-6-methylidenehept-3-ene-1,2,7-triimine
CID 123329124
4-N,6-dimethylhept-5-ene-3,4-diimine
CID 123398859
(2Z)-2-ethylidene-3-N-methylhexane-1,3-diimine
CID 123422802
2-N-ethylcyclohex-3-ene-1,2-diimine
CID 123566482
4-N-ethyl-2-methylcyclohexa-2,5-diene-1,4-diimine
CID 123632189
2-[2-(2,4-Dimethylhex-2-enylimino)propyl]cyclohex-2-en-1-imine
CID 123764237
(6Z)-7-methyl-N-pentan-2-yldeca-6,9-dien-5-imine
CID 124000603
5-pent-1-en-2-yl-2H-pyrrole
CID 126595284
(5E,9E)-N-ethyl-5,9-dimethyldodeca-5,9-dien-2-imine
CID 126725778

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-ethyl-2-N-(3-methylpent-2-enyl)-5-(2-methylprop-2-enyl)nona-4,7-diene-2,3-diimine?
The IUPAC name of (4Z)-4-ethyl-2-N-(3-methylpent-2-enyl)-5-(2-methylprop-2-enyl)nona-4,7-diene-2,3-diimine (CID 123742269) is (4Z)-4-ethyl-2-N-(3-methylpent-2-enyl)-5-(2-methylprop-2-enyl)nona-4,7-diene-2,3-diimine.
What is the SMILES notation for (4Z)-4-ethyl-2-N-(3-methylpent-2-enyl)-5-(2-methylprop-2-enyl)nona-4,7-diene-2,3-diimine?
The canonical SMILES for (4Z)-4-ethyl-2-N-(3-methylpent-2-enyl)-5-(2-methylprop-2-enyl)nona-4,7-diene-2,3-diimine is [H]/N=C(C(/CC)=C(/CC=CC)CC(=C)C)\C(C)=N\CC=C(C)CC.
What is the InChIKey of (4Z)-4-ethyl-2-N-(3-methylpent-2-enyl)-5-(2-methylprop-2-enyl)nona-4,7-diene-2,3-diimine?
The InChIKey is UJTHGXVASHPBLA-HHKGCJPASA-N. The full InChI is InChI=1S/C21H34N2/c1-8-11-12-19(15-16(4)5)20(10-3)21(22)18(7)23-14-13-17(6)9-2/h8,11,13,22H,4,9-10,12,14-15H2,1-3,5-7H3/b11-8?,17-13?,20-19-,22-21+,23-18+.
What are the key properties of (4Z)-4-ethyl-2-N-(3-methylpent-2-enyl)-5-(2-methylprop-2-enyl)nona-4,7-diene-2,3-diimine?
(4Z)-4-ethyl-2-N-(3-methylpent-2-enyl)-5-(2-methylprop-2-enyl)nona-4,7-diene-2,3-diimine has a molecular weight of 314.52 g/mol, XLogP of 6.46, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-ethyl-2-N-(3-methylpent-2-enyl)-5-(2-methylprop-2-enyl)nona-4,7-diene-2,3-diimine is sourced from PubChem (CID 123742269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).