ethane;(2E,4Z)-2-ethenyl-N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]hepta-2,4-dien-1-imine

C18H27N — CID 142960447

IUPACethane;(2E,4Z)-2-ethenyl-N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]hepta-2,4-dien-1-imine
SMILESC=CC(/C=N\C(C=C)=C\C=C/C)=C\C=C/CC.CC
InChIInChI=1S/C16H21N.C2H6/c1-5-9-11-12-15(7-3)14-17-16(8-4)13-10-6-2;1-2/h6-14H,3-5H2,1-2H3;1-2H3/b10-6-,11-9-,15-12+,16-13+,17-14+;
InChIKeyIPQOPKVPGGKZME-BLDSCQJUSA-N
MW257.42 g/mol
LogP5.81
Rot. Bonds7

About ethane;(2E,4Z)-2-ethenyl-N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]hepta-2,4-dien-1-imine

ethane;(2E,4Z)-2-ethenyl-N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]hepta-2,4-dien-1-imine (PubChem CID 142960447) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is ethane;(2E,4Z)-2-ethenyl-N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]hepta-2,4-dien-1-imine.

Molecular Properties

Compound Nameethane;(2E,4Z)-2-ethenyl-N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]hepta-2,4-dien-1-imine
PubChem CID142960447
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC Nameethane;(2E,4Z)-2-ethenyl-N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]hepta-2,4-dien-1-imine
SMILESC=CC(/C=N\C(C=C)=C\C=C/C)=C\C=C/CC.CC
InChIInChI=1S/C16H21N.C2H6/c1-5-9-11-12-15(7-3)14-17-16(8-4)13-10-6-2;1-2/h6-14H,3-5H2,1-2H3;1-2H3/b10-6-,11-9-,15-12+,16-13+,17-14+;
InChIKeyIPQOPKVPGGKZME-BLDSCQJUSA-N
XLogP5.81
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500257.42
LogP ≤ 55.81
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'}

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Related Compounds

ethane;(5E)-3-ethenylhepta-1,3,5-triene
CID 143978470
(2E,4Z)-2-ethenylhepta-2,4-dienal
CID 129060259
(2E,4Z,6Z)-2-ethenyl-5-methyl-N-[(3E,5E)-6-methyl-7-[(3E,5Z)-6-methylocta-1,3,5,7-tetraen-3-yl]iminohepta-1,3,5-trien-3-yl]octa-2,4,6-trien-1-imine
CID 145060065
(3E,5Z)-3-chloroocta-1,3,5-triene
CID 143682156
ethane;(2Z,4Z,6Z)-nona-2,4,6-triene
CID 142106659
(Z)-N-[(3Z)-penta-1,3-dien-3-yl]hept-4-en-1-imine
CID 118616221
(2Z,4Z)-2-ethenylhexa-2,4-dien-1-imine
CID 156799789
(3E,5Z)-3-iodohepta-1,3,5-triene
CID 89257521
ethane;(2E,4Z)-hepta-2,4-dien-2-ol
CID 142115176
ethane;(3Z,5Z)-4-[(E)-prop-1-enyl]octa-1,3,5-triene
CID 143078245
ethane;(3E,5E)-3-methylsulfanylhepta-1,3,5-triene
CID 142207373
(3E,5E)-4-ethenylocta-1,3,5-triene
CID 142003848

Frequently Asked Questions

What is the IUPAC name of ethane;(2E,4Z)-2-ethenyl-N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]hepta-2,4-dien-1-imine?
The IUPAC name of ethane;(2E,4Z)-2-ethenyl-N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]hepta-2,4-dien-1-imine (CID 142960447) is ethane;(2E,4Z)-2-ethenyl-N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]hepta-2,4-dien-1-imine.
What is the SMILES notation for ethane;(2E,4Z)-2-ethenyl-N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]hepta-2,4-dien-1-imine?
The canonical SMILES for ethane;(2E,4Z)-2-ethenyl-N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]hepta-2,4-dien-1-imine is C=CC(/C=N\C(C=C)=C\C=C/C)=C\C=C/CC.CC.
What is the InChIKey of ethane;(2E,4Z)-2-ethenyl-N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]hepta-2,4-dien-1-imine?
The InChIKey is IPQOPKVPGGKZME-BLDSCQJUSA-N. The full InChI is InChI=1S/C16H21N.C2H6/c1-5-9-11-12-15(7-3)14-17-16(8-4)13-10-6-2;1-2/h6-14H,3-5H2,1-2H3;1-2H3/b10-6-,11-9-,15-12+,16-13+,17-14+;.
What are the key properties of ethane;(2E,4Z)-2-ethenyl-N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]hepta-2,4-dien-1-imine?
ethane;(2E,4Z)-2-ethenyl-N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]hepta-2,4-dien-1-imine has a molecular weight of 257.42 g/mol, XLogP of 5.81, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2E,4Z)-2-ethenyl-N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]hepta-2,4-dien-1-imine is sourced from PubChem (CID 142960447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).