(3E,4Z,7E,8Z)-N-[(1Z)-buta-1,3-dienyl]-3,7-di(ethylidene)-6-methylideneundeca-4,8,10-trien-2-imine

C20H25N — CID 129076377

IUPAC(3E,4Z,7E,8Z)-N-[(1Z)-buta-1,3-dienyl]-3,7-di(ethylidene)-6-methylideneundeca-4,8,10-trien-2-imine
SMILESC=C/C=C\N=C(C)\C(/C=C\C(=C)C(/C=C\C=C)=C/C)=C\C
InChIInChI=1S/C20H25N/c1-7-11-13-19(9-3)17(5)14-15-20(10-4)18(6)21-16-12-8-2/h7-16H,1-2,5H2,3-4,6H3/b13-11-,15-14-,16-12-,19-9+,20-10+,21-18+
InChIKeyPDTUVQAOHDDROA-HCOAIEEDSA-N
MW279.43 g/mol
LogP5.89
Rot. Bonds8

About (3E,4Z,7E,8Z)-N-[(1Z)-buta-1,3-dienyl]-3,7-di(ethylidene)-6-methylideneundeca-4,8,10-trien-2-imine

(3E,4Z,7E,8Z)-N-[(1Z)-buta-1,3-dienyl]-3,7-di(ethylidene)-6-methylideneundeca-4,8,10-trien-2-imine (PubChem CID 129076377) has the molecular formula C20H25N and a molecular weight of 279.43 g/mol. Its IUPAC name is (3E,4Z,7E,8Z)-N-[(1Z)-buta-1,3-dienyl]-3,7-di(ethylidene)-6-methylideneundeca-4,8,10-trien-2-imine.

Molecular Properties

Compound Name(3E,4Z,7E,8Z)-N-[(1Z)-buta-1,3-dienyl]-3,7-di(ethylidene)-6-methylideneundeca-4,8,10-trien-2-imine
PubChem CID129076377
Molecular FormulaC20H25N
Molecular Weight279.43 g/mol
Exact Mass279.20
IUPAC Name(3E,4Z,7E,8Z)-N-[(1Z)-buta-1,3-dienyl]-3,7-di(ethylidene)-6-methylideneundeca-4,8,10-trien-2-imine
SMILESC=C/C=C\N=C(C)\C(/C=C\C(=C)C(/C=C\C=C)=C/C)=C\C
InChIInChI=1S/C20H25N/c1-7-11-13-19(9-3)17(5)14-15-20(10-4)18(6)21-16-12-8-2/h7-16H,1-2,5H2,3-4,6H3/b13-11-,15-14-,16-12-,19-9+,20-10+,21-18+
InChIKeyPDTUVQAOHDDROA-HCOAIEEDSA-N
XLogP5.89
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.43
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3E,4Z,7E,8Z)-N-[(1Z)-buta-1,3-dienyl]-3,7-di(ethylidene)-6-methylideneundeca-4,8,10-trien-2-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

Tetrabenzo(B,D,H,J)(1,6)diazacyclododecine
CID 91869782
(1Z)-1-Benzazocine
CID 17846319
5H-Indole
CID 20712154
Dibenz[b,f]azocine
CID 23633137
2-Pentylazocine
CID 57095178
(3Z,5Z,7Z)-2,3-bis[(3Z,5Z,7Z)-azocin-2-yl]azocine
CID 129643885
Tetrabenzo(b,d,H,j)(1,6)-diaza-cyclododecine
CID 5379414
N-[(1Z,3E,5E)-7-fluoro-4,5-dimethyl-2-prop-1-en-2-ylnona-1,3,5,7-tetraenyl]propan-2-imine
CID 123854580
(2E,4E,6E)-N-ethenyl-8-fluoro-5-methyl-6-[(Z)-prop-1-enyl]-2-prop-1-en-2-ylnona-2,4,6,8-tetraen-1-imine
CID 126516076
2-[(2Z,4Z)-3-fluorohexa-2,4-dien-2-yl]-3,8-dimethylideneazecine
CID 130341015
ethane;5-ethyl-2-(trifluoromethyl)-3H-azepine
CID 143347099
6-[(E)-1-fluoroprop-1-enyl]-5,7-dimethyl-4H-azepine
CID 144030424

Frequently Asked Questions

What is the IUPAC name of (3E,4Z,7E,8Z)-N-[(1Z)-buta-1,3-dienyl]-3,7-di(ethylidene)-6-methylideneundeca-4,8,10-trien-2-imine?
The IUPAC name of (3E,4Z,7E,8Z)-N-[(1Z)-buta-1,3-dienyl]-3,7-di(ethylidene)-6-methylideneundeca-4,8,10-trien-2-imine (CID 129076377) is (3E,4Z,7E,8Z)-N-[(1Z)-buta-1,3-dienyl]-3,7-di(ethylidene)-6-methylideneundeca-4,8,10-trien-2-imine.
What is the SMILES notation for (3E,4Z,7E,8Z)-N-[(1Z)-buta-1,3-dienyl]-3,7-di(ethylidene)-6-methylideneundeca-4,8,10-trien-2-imine?
The canonical SMILES for (3E,4Z,7E,8Z)-N-[(1Z)-buta-1,3-dienyl]-3,7-di(ethylidene)-6-methylideneundeca-4,8,10-trien-2-imine is C=C/C=C\N=C(C)\C(/C=C\C(=C)C(/C=C\C=C)=C/C)=C\C.
What is the InChIKey of (3E,4Z,7E,8Z)-N-[(1Z)-buta-1,3-dienyl]-3,7-di(ethylidene)-6-methylideneundeca-4,8,10-trien-2-imine?
The InChIKey is PDTUVQAOHDDROA-HCOAIEEDSA-N. The full InChI is InChI=1S/C20H25N/c1-7-11-13-19(9-3)17(5)14-15-20(10-4)18(6)21-16-12-8-2/h7-16H,1-2,5H2,3-4,6H3/b13-11-,15-14-,16-12-,19-9+,20-10+,21-18+.
What are the key properties of (3E,4Z,7E,8Z)-N-[(1Z)-buta-1,3-dienyl]-3,7-di(ethylidene)-6-methylideneundeca-4,8,10-trien-2-imine?
(3E,4Z,7E,8Z)-N-[(1Z)-buta-1,3-dienyl]-3,7-di(ethylidene)-6-methylideneundeca-4,8,10-trien-2-imine has a molecular weight of 279.43 g/mol, XLogP of 5.89, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,4Z,7E,8Z)-N-[(1Z)-buta-1,3-dienyl]-3,7-di(ethylidene)-6-methylideneundeca-4,8,10-trien-2-imine is sourced from PubChem (CID 129076377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).