ethane;(2Z,5E,6Z)-N-ethenyl-5-ethylidenenona-2,6,8-trien-4-imine

C15H23N — CID 143996029

IUPACethane;(2Z,5E,6Z)-N-ethenyl-5-ethylidenenona-2,6,8-trien-4-imine
SMILESC=C/C=C\C(=C/C)C(/C=C\C)=N\C=C.CC
InChIInChI=1S/C13H17N.C2H6/c1-5-9-11-12(7-3)13(10-6-2)14-8-4;1-2/h5-11H,1,4H2,2-3H3;1-2H3/b10-6-,11-9-,12-7+,14-13+;
InChIKeyTVIIPEICHHDPSP-CFHXQHFESA-N
MW217.36 g/mol
LogP4.86
Rot. Bonds5

About ethane;(2Z,5E,6Z)-N-ethenyl-5-ethylidenenona-2,6,8-trien-4-imine

ethane;(2Z,5E,6Z)-N-ethenyl-5-ethylidenenona-2,6,8-trien-4-imine (PubChem CID 143996029) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is ethane;(2Z,5E,6Z)-N-ethenyl-5-ethylidenenona-2,6,8-trien-4-imine.

Molecular Properties

Compound Nameethane;(2Z,5E,6Z)-N-ethenyl-5-ethylidenenona-2,6,8-trien-4-imine
PubChem CID143996029
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Nameethane;(2Z,5E,6Z)-N-ethenyl-5-ethylidenenona-2,6,8-trien-4-imine
SMILESC=C/C=C\C(=C/C)C(/C=C\C)=N\C=C.CC
InChIInChI=1S/C13H17N.C2H6/c1-5-9-11-12(7-3)13(10-6-2)14-8-4;1-2/h5-11H,1,4H2,2-3H3;1-2H3/b10-6-,11-9-,12-7+,14-13+;
InChIKeyTVIIPEICHHDPSP-CFHXQHFESA-N
XLogP4.86
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 54.86
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 ethane;(2Z,5E,6Z)-N-ethenyl-5-ethylidenenona-2,6,8-trien-4-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

(3Z,5Z,6E)-5-ethylideneocta-1,3,6-triene
CID 142093033
(3Z,5E,6E)-5-ethylidene-6-methylocta-1,3,6-triene
CID 155717462
(3Z,5Z)-N-[(Z)-but-2-en-2-yl]-3-ethylideneocta-1,5,7-trien-4-imine
CID 143256701
(3Z,5Z)-4-[(E)-prop-1-enyl]octa-1,3,5,7-tetraene
CID 143274377
(3Z,5E,6E,8Z)-6-ethenyl-5-ethylidenedeca-1,3,6,8-tetraene
CID 142285656
(2Z,5E,6Z)-N-ethenyl-8-(2-methylphenyl)-5-[2-(2-methylphenyl)prop-2-enylidene]nona-2,6,8-trien-4-imine
CID 155027630
ethane;(3E,4Z)-3-ethylidene-1,1,1-trifluorohepta-4,6-dien-2-one
CID 167454671
(3Z,5E,6E,8Z)-6-ethyl-5-ethylidenedeca-1,3,6,8-tetraene
CID 177369316
(Z,2E)-2-ethylidene-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]pent-3-en-1-imine
CID 166663720
(3E,4Z)-3-ethylidene-N-prop-1-en-2-ylhepta-1,4,6-trien-2-amine
CID 170141332
(2E,3Z)-2-ethylidene-N,N-dimethylhexa-3,5-dienamide
CID 118361831
(3Z,5E,7E,8Z)-5,7-di(ethylidene)-6-[(2E,4Z)-hexa-2,4-dien-3-yl]-6-methyldeca-1,3,8-triene;ethane
CID 143385248

Frequently Asked Questions

What is the IUPAC name of ethane;(2Z,5E,6Z)-N-ethenyl-5-ethylidenenona-2,6,8-trien-4-imine?
The IUPAC name of ethane;(2Z,5E,6Z)-N-ethenyl-5-ethylidenenona-2,6,8-trien-4-imine (CID 143996029) is ethane;(2Z,5E,6Z)-N-ethenyl-5-ethylidenenona-2,6,8-trien-4-imine.
What is the SMILES notation for ethane;(2Z,5E,6Z)-N-ethenyl-5-ethylidenenona-2,6,8-trien-4-imine?
The canonical SMILES for ethane;(2Z,5E,6Z)-N-ethenyl-5-ethylidenenona-2,6,8-trien-4-imine is C=C/C=C\C(=C/C)C(/C=C\C)=N\C=C.CC.
What is the InChIKey of ethane;(2Z,5E,6Z)-N-ethenyl-5-ethylidenenona-2,6,8-trien-4-imine?
The InChIKey is TVIIPEICHHDPSP-CFHXQHFESA-N. The full InChI is InChI=1S/C13H17N.C2H6/c1-5-9-11-12(7-3)13(10-6-2)14-8-4;1-2/h5-11H,1,4H2,2-3H3;1-2H3/b10-6-,11-9-,12-7+,14-13+;.
What are the key properties of ethane;(2Z,5E,6Z)-N-ethenyl-5-ethylidenenona-2,6,8-trien-4-imine?
ethane;(2Z,5E,6Z)-N-ethenyl-5-ethylidenenona-2,6,8-trien-4-imine has a molecular weight of 217.36 g/mol, XLogP of 4.86, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2Z,5E,6Z)-N-ethenyl-5-ethylidenenona-2,6,8-trien-4-imine is sourced from PubChem (CID 143996029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).