(3E,5Z)-3-ethenyl-N-[(E)-4-methylhept-3-en-3-yl]-2-methylidenehepta-3,5-dien-1-imine

C18H27N — CID 170141500

IUPAC(3E,5Z)-3-ethenyl-N-[(E)-4-methylhept-3-en-3-yl]-2-methylidenehepta-3,5-dien-1-imine
SMILESC=C/C(=C\C=C/C)C(=C)/C=N/C(CC)=C(\C)CCC
InChIInChI=1S/C18H27N/c1-7-11-13-17(9-3)16(6)14-19-18(10-4)15(5)12-8-2/h7,9,11,13-14H,3,6,8,10,12H2,1-2,4-5H3/b11-7-,17-13+,18-15+,19-14+
InChIKeyJMHWHFVUQLLKQG-TVOSDRFVSA-N
MW257.42 g/mol
LogP5.79
Rot. Bonds8

About (3E,5Z)-3-ethenyl-N-[(E)-4-methylhept-3-en-3-yl]-2-methylidenehepta-3,5-dien-1-imine

(3E,5Z)-3-ethenyl-N-[(E)-4-methylhept-3-en-3-yl]-2-methylidenehepta-3,5-dien-1-imine (PubChem CID 170141500) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is (3E,5Z)-3-ethenyl-N-[(E)-4-methylhept-3-en-3-yl]-2-methylidenehepta-3,5-dien-1-imine.

Molecular Properties

Compound Name(3E,5Z)-3-ethenyl-N-[(E)-4-methylhept-3-en-3-yl]-2-methylidenehepta-3,5-dien-1-imine
PubChem CID170141500
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC Name(3E,5Z)-3-ethenyl-N-[(E)-4-methylhept-3-en-3-yl]-2-methylidenehepta-3,5-dien-1-imine
SMILESC=C/C(=C\C=C/C)C(=C)/C=N/C(CC)=C(\C)CCC
InChIInChI=1S/C18H27N/c1-7-11-13-17(9-3)16(6)14-19-18(10-4)15(5)12-8-2/h7,9,11,13-14H,3,6,8,10,12H2,1-2,4-5H3/b11-7-,17-13+,18-15+,19-14+
InChIKeyJMHWHFVUQLLKQG-TVOSDRFVSA-N
XLogP5.79
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500257.42
LogP ≤ 55.79
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

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(4E,6Z)-4-ethenyl-N-(2-methylprop-1-enyl)octa-4,6-dien-3-imine
CID 143684728
(3Z,7E,9Z)-7-ethenyl-2-methyl-5,6-dimethylideneundeca-1,3,7,9-tetraene
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(3Z,4Z,6Z)-4-ethenyl-3-ethylideneocta-1,4,6-triene;methane
CID 142141594
[(6E,8Z)-6-ethenyl-4-propyldeca-4,6,8-trien-5-yl]benzene
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CID 145125978
(6Z,8Z)-6-ethenyl-N-methyl-3-propan-2-ylidenedeca-6,8-dien-2-imine
CID 142134372
(E)-but-2-ene;2-methylbut-1-ene
CID 160732245
but-2-ene;2-methylbut-1-ene
CID 160732246
(E)-N-ethenyl-2-ethyl-3-methylhex-2-en-1-imine
CID 145499159
6-ethyl-7-methyl-3-methylidenedeca-1,6-diene
CID 54189290

Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-3-ethenyl-N-[(E)-4-methylhept-3-en-3-yl]-2-methylidenehepta-3,5-dien-1-imine?
The IUPAC name of (3E,5Z)-3-ethenyl-N-[(E)-4-methylhept-3-en-3-yl]-2-methylidenehepta-3,5-dien-1-imine (CID 170141500) is (3E,5Z)-3-ethenyl-N-[(E)-4-methylhept-3-en-3-yl]-2-methylidenehepta-3,5-dien-1-imine.
What is the SMILES notation for (3E,5Z)-3-ethenyl-N-[(E)-4-methylhept-3-en-3-yl]-2-methylidenehepta-3,5-dien-1-imine?
The canonical SMILES for (3E,5Z)-3-ethenyl-N-[(E)-4-methylhept-3-en-3-yl]-2-methylidenehepta-3,5-dien-1-imine is C=C/C(=C\C=C/C)C(=C)/C=N/C(CC)=C(\C)CCC.
What is the InChIKey of (3E,5Z)-3-ethenyl-N-[(E)-4-methylhept-3-en-3-yl]-2-methylidenehepta-3,5-dien-1-imine?
The InChIKey is JMHWHFVUQLLKQG-TVOSDRFVSA-N. The full InChI is InChI=1S/C18H27N/c1-7-11-13-17(9-3)16(6)14-19-18(10-4)15(5)12-8-2/h7,9,11,13-14H,3,6,8,10,12H2,1-2,4-5H3/b11-7-,17-13+,18-15+,19-14+.
What are the key properties of (3E,5Z)-3-ethenyl-N-[(E)-4-methylhept-3-en-3-yl]-2-methylidenehepta-3,5-dien-1-imine?
(3E,5Z)-3-ethenyl-N-[(E)-4-methylhept-3-en-3-yl]-2-methylidenehepta-3,5-dien-1-imine has a molecular weight of 257.42 g/mol, XLogP of 5.79, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-3-ethenyl-N-[(E)-4-methylhept-3-en-3-yl]-2-methylidenehepta-3,5-dien-1-imine is sourced from PubChem (CID 170141500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).