(5Z)-N-ethenyl-6-methylocta-5,7-dien-4-imine

C11H17N — CID 166958594

IUPAC(5Z)-N-ethenyl-6-methylocta-5,7-dien-4-imine
SMILESC=C/N=C(/C=C(/C)C=C)CCC
InChIInChI=1S/C11H17N/c1-5-8-11(12-7-3)9-10(4)6-2/h6-7,9H,2-3,5,8H2,1,4H3/b10-9-,12-11+
InChIKeyHWTUPQPQBCCXSE-XAZJVICWSA-N
MW163.26 g/mol
LogP3.50
Rot. Bonds5

About (5Z)-N-ethenyl-6-methylocta-5,7-dien-4-imine

(5Z)-N-ethenyl-6-methylocta-5,7-dien-4-imine (PubChem CID 166958594) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is (5Z)-N-ethenyl-6-methylocta-5,7-dien-4-imine.

Molecular Properties

Compound Name(5Z)-N-ethenyl-6-methylocta-5,7-dien-4-imine
PubChem CID166958594
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name(5Z)-N-ethenyl-6-methylocta-5,7-dien-4-imine
SMILESC=C/N=C(/C=C(/C)C=C)CCC
InChIInChI=1S/C11H17N/c1-5-8-11(12-7-3)9-10(4)6-2/h6-7,9H,2-3,5,8H2,1,4H3/b10-9-,12-11+
InChIKeyHWTUPQPQBCCXSE-XAZJVICWSA-N
XLogP3.50
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 53.50
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;(3Z,5Z)-5-ethylidene-3-methylocta-1,3-diene
CID 143267495
ethane;N-ethenylpent-1-en-3-imine
CID 143591103
butane;ethane;N-ethenylbut-3-en-2-imine
CID 145149803
(1E,3Z)-2-chloro-4-methylhexa-1,3,5-trien-1-amine
CID 89145510
(Z)-N-ethenylnon-2-en-4-imine
CID 144801095
(4E)-N-ethenyl-2,5-dimethyl-4-propylhepta-1,4-dien-3-imine
CID 143544186
(E)-N-ethenyl-2-ethyl-3-methylhex-2-en-1-imine
CID 145499159
N-[(E)-2-methylpent-1-enyl]methanimine
CID 142044769
ethane;(3Z)-3-methylpenta-1,3-diene;propane
CID 143719744
(3Z,5E)-5-ethoxy-3-methylhepta-1,3,5-triene
CID 131995054
3,7-dimethyloctadeca-1,3,6-triene
CID 174988182
ethane;(3E,5E)-4-ethyl-6-methyl-3-(trifluoromethyl)octa-1,3,5,7-tetraene
CID 145071766

Frequently Asked Questions

What is the IUPAC name of (5Z)-N-ethenyl-6-methylocta-5,7-dien-4-imine?
The IUPAC name of (5Z)-N-ethenyl-6-methylocta-5,7-dien-4-imine (CID 166958594) is (5Z)-N-ethenyl-6-methylocta-5,7-dien-4-imine.
What is the SMILES notation for (5Z)-N-ethenyl-6-methylocta-5,7-dien-4-imine?
The canonical SMILES for (5Z)-N-ethenyl-6-methylocta-5,7-dien-4-imine is C=C/N=C(/C=C(/C)C=C)CCC.
What is the InChIKey of (5Z)-N-ethenyl-6-methylocta-5,7-dien-4-imine?
The InChIKey is HWTUPQPQBCCXSE-XAZJVICWSA-N. The full InChI is InChI=1S/C11H17N/c1-5-8-11(12-7-3)9-10(4)6-2/h6-7,9H,2-3,5,8H2,1,4H3/b10-9-,12-11+.
What are the key properties of (5Z)-N-ethenyl-6-methylocta-5,7-dien-4-imine?
(5Z)-N-ethenyl-6-methylocta-5,7-dien-4-imine has a molecular weight of 163.26 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-N-ethenyl-6-methylocta-5,7-dien-4-imine is sourced from PubChem (CID 166958594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).