(Z,5Z)-N-[(Z)-cyclohexa-1,3-dien-1-ylmethylideneamino]-6-ethyltetradeca-2,5-dien-7-imine

C23H36N2 — CID 123863376

IUPAC(Z,5Z)-N-[(Z)-cyclohexa-1,3-dien-1-ylmethylideneamino]-6-ethyltetradeca-2,5-dien-7-imine
SMILESCC=CC/C=C(CC)\C(CCCCCCC)=N/N=C\C1=CC=CCC1
InChIInChI=1S/C23H36N2/c1-4-7-9-10-15-19-23(22(6-3)18-12-8-5-2)25-24-20-21-16-13-11-14-17-21/h5,8,11,13,16,18,20H,4,6-7,9-10,12,14-15,17,19H2,1-3H3/b8-5?,22-18-,24-20-,25-23-
InChIKeyAQBHDBIKIQLJAJ-KVTVLTOTSA-N
MW340.56 g/mol
LogP7.35
Rot. Bonds12

About (Z,5Z)-N-[(Z)-cyclohexa-1,3-dien-1-ylmethylideneamino]-6-ethyltetradeca-2,5-dien-7-imine

(Z,5Z)-N-[(Z)-cyclohexa-1,3-dien-1-ylmethylideneamino]-6-ethyltetradeca-2,5-dien-7-imine (PubChem CID 123863376) has the molecular formula C23H36N2 and a molecular weight of 340.56 g/mol. Its IUPAC name is (Z,5Z)-N-[(Z)-cyclohexa-1,3-dien-1-ylmethylideneamino]-6-ethyltetradeca-2,5-dien-7-imine.

Molecular Properties

Compound Name(Z,5Z)-N-[(Z)-cyclohexa-1,3-dien-1-ylmethylideneamino]-6-ethyltetradeca-2,5-dien-7-imine
PubChem CID123863376
Molecular FormulaC23H36N2
Molecular Weight340.56 g/mol
Exact Mass340.29
IUPAC Name(Z,5Z)-N-[(Z)-cyclohexa-1,3-dien-1-ylmethylideneamino]-6-ethyltetradeca-2,5-dien-7-imine
SMILESCC=CC/C=C(CC)\C(CCCCCCC)=N/N=C\C1=CC=CCC1
InChIInChI=1S/C23H36N2/c1-4-7-9-10-15-19-23(22(6-3)18-12-8-5-2)25-24-20-21-16-13-11-14-17-21/h5,8,11,13,16,18,20H,4,6-7,9-10,12,14-15,17,19H2,1-3H3/b8-5?,22-18-,24-20-,25-23-
InChIKeyAQBHDBIKIQLJAJ-KVTVLTOTSA-N
XLogP7.35
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.56
LogP ≤ 57.35
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 (Z,5Z)-N-[(Z)-cyclohexa-1,3-dien-1-ylmethylideneamino]-6-ethyltetradeca-2,5-dien-7-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

Diazabicyclo-octatriene
CID 129719106
N-octyl-2-(octyliminomethyl)cyclohexa-2,4-dien-1-imine
CID 54535522
N-octyl-2-(octyliminomethylidene)cyclohex-3-en-1-imine
CID 57009148
3-cyclonona-1,3-dien-1-yl-5,6,7,8-tetrahydro-4H-diazonine
CID 67511116
3-Cycloundeca-1,3-dien-1-yl-1,2-diazacycloundeca-2,11-diene
CID 67512196
3-Cycloocta-1,3-dien-1-yl-4,5,6,7-tetrahydrodiazocine
CID 67593424
3-Cyclododeca-1,3,5-trien-1-yl-1,2-diazacyclododeca-2,10,12-triene
CID 67674053
3-cyclohepta-1,3-dien-1-yl-5,6-dihydro-4H-diazepine
CID 70484508
(1Z,2E)-3-[(1E,3Z)-cycloocta-1,3-dien-1-yl]-4,5,6,7-tetrahydrodiazocine
CID 88305877
(E,4Z)-6-methyl-3-methylidene-N-[(E)-propylideneamino]hepta-4,6-dien-2-imine
CID 90817774
(Z)-1-cyclohexa-1,3-dien-1-yl-N-(methylideneamino)propan-1-imine
CID 91556118
(E,E)-N-[(E)-ethylideneamino]-5-methyl-3-methylideneoct-4-en-2-imine
CID 123284627

Frequently Asked Questions

What is the IUPAC name of (Z,5Z)-N-[(Z)-cyclohexa-1,3-dien-1-ylmethylideneamino]-6-ethyltetradeca-2,5-dien-7-imine?
The IUPAC name of (Z,5Z)-N-[(Z)-cyclohexa-1,3-dien-1-ylmethylideneamino]-6-ethyltetradeca-2,5-dien-7-imine (CID 123863376) is (Z,5Z)-N-[(Z)-cyclohexa-1,3-dien-1-ylmethylideneamino]-6-ethyltetradeca-2,5-dien-7-imine.
What is the SMILES notation for (Z,5Z)-N-[(Z)-cyclohexa-1,3-dien-1-ylmethylideneamino]-6-ethyltetradeca-2,5-dien-7-imine?
The canonical SMILES for (Z,5Z)-N-[(Z)-cyclohexa-1,3-dien-1-ylmethylideneamino]-6-ethyltetradeca-2,5-dien-7-imine is CC=CC/C=C(CC)\C(CCCCCCC)=N/N=C\C1=CC=CCC1.
What is the InChIKey of (Z,5Z)-N-[(Z)-cyclohexa-1,3-dien-1-ylmethylideneamino]-6-ethyltetradeca-2,5-dien-7-imine?
The InChIKey is AQBHDBIKIQLJAJ-KVTVLTOTSA-N. The full InChI is InChI=1S/C23H36N2/c1-4-7-9-10-15-19-23(22(6-3)18-12-8-5-2)25-24-20-21-16-13-11-14-17-21/h5,8,11,13,16,18,20H,4,6-7,9-10,12,14-15,17,19H2,1-3H3/b8-5?,22-18-,24-20-,25-23-.
What are the key properties of (Z,5Z)-N-[(Z)-cyclohexa-1,3-dien-1-ylmethylideneamino]-6-ethyltetradeca-2,5-dien-7-imine?
(Z,5Z)-N-[(Z)-cyclohexa-1,3-dien-1-ylmethylideneamino]-6-ethyltetradeca-2,5-dien-7-imine has a molecular weight of 340.56 g/mol, XLogP of 7.35, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,5Z)-N-[(Z)-cyclohexa-1,3-dien-1-ylmethylideneamino]-6-ethyltetradeca-2,5-dien-7-imine is sourced from PubChem (CID 123863376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).