(Z)-N-ethenyl-2,3,6-trimethylideneoct-4-en-1-imine

C13H17N — CID 145480572

IUPAC(Z)-N-ethenyl-2,3,6-trimethylideneoct-4-en-1-imine
SMILESC=C/N=C/C(=C)C(=C)/C=C\C(=C)CC
InChIInChI=1S/C13H17N/c1-6-11(3)8-9-12(4)13(5)10-14-7-2/h7-10H,2-6H2,1H3/b9-8-,14-10+
InChIKeyUVFJDBAJMBSTIP-MYSCJDEHSA-N
MW187.29 g/mol
LogP3.84
Rot. Bonds6

About (Z)-N-ethenyl-2,3,6-trimethylideneoct-4-en-1-imine

(Z)-N-ethenyl-2,3,6-trimethylideneoct-4-en-1-imine (PubChem CID 145480572) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is (Z)-N-ethenyl-2,3,6-trimethylideneoct-4-en-1-imine.

Molecular Properties

Compound Name(Z)-N-ethenyl-2,3,6-trimethylideneoct-4-en-1-imine
PubChem CID145480572
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name(Z)-N-ethenyl-2,3,6-trimethylideneoct-4-en-1-imine
SMILESC=C/N=C/C(=C)C(=C)/C=C\C(=C)CC
InChIInChI=1S/C13H17N/c1-6-11(3)8-9-12(4)13(5)10-14-7-2/h7-10H,2-6H2,1H3/b9-8-,14-10+
InChIKeyUVFJDBAJMBSTIP-MYSCJDEHSA-N
XLogP3.84
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 53.84
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

prop-1-ene;(4Z,8Z)-3,6,7,10-tetramethylidenedodeca-4,8-diene
CID 144612607
(Z)-2,3,6-trimethylidene-N-prop-1-en-2-yloct-4-en-1-imine
CID 145480541
propane;(3Z,7Z)-5,6,9-trimethylideneundeca-1,3,7-trien-2-ol
CID 142281411
(3Z,7Z)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene;propane
CID 144723415
ethene;(3Z,7Z)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene
CID 145059823
(3E,7Z)-5,6,9-trimethylidene-3-(trifluoromethyl)undeca-1,3,7-triene
CID 145480576
(Z)-5-methylidenehept-3-en-2-one
CID 123321874
(4Z,8Z,12Z)-8,9-difluoro-3,6,7,10,11,14-hexamethylidenehexadeca-4,8,12-triene;ethane
CID 144604196
(5Z)-2-fluoro-3,4,7-trimethylidenenona-1,5-diene;hydrofluoride
CID 143773200
2-bromo-5-methylidenehepta-1,3-diene
CID 123950056
(2E,6Z)-2-(1-aminoethenyl)-4,5,8-trimethylidenedeca-2,6-dienal
CID 145060013
ethene;(3Z)-6-(fluoromethyl)-2-methyl-5-methylidenehepta-1,3,6-triene;(5Z)-3,4,7-trimethylidenenona-1,5-diene
CID 144909675

Frequently Asked Questions

What is the IUPAC name of (Z)-N-ethenyl-2,3,6-trimethylideneoct-4-en-1-imine?
The IUPAC name of (Z)-N-ethenyl-2,3,6-trimethylideneoct-4-en-1-imine (CID 145480572) is (Z)-N-ethenyl-2,3,6-trimethylideneoct-4-en-1-imine.
What is the SMILES notation for (Z)-N-ethenyl-2,3,6-trimethylideneoct-4-en-1-imine?
The canonical SMILES for (Z)-N-ethenyl-2,3,6-trimethylideneoct-4-en-1-imine is C=C/N=C/C(=C)C(=C)/C=C\C(=C)CC.
What is the InChIKey of (Z)-N-ethenyl-2,3,6-trimethylideneoct-4-en-1-imine?
The InChIKey is UVFJDBAJMBSTIP-MYSCJDEHSA-N. The full InChI is InChI=1S/C13H17N/c1-6-11(3)8-9-12(4)13(5)10-14-7-2/h7-10H,2-6H2,1H3/b9-8-,14-10+.
What are the key properties of (Z)-N-ethenyl-2,3,6-trimethylideneoct-4-en-1-imine?
(Z)-N-ethenyl-2,3,6-trimethylideneoct-4-en-1-imine has a molecular weight of 187.29 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-ethenyl-2,3,6-trimethylideneoct-4-en-1-imine is sourced from PubChem (CID 145480572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).