(4E,6Z)-4-ethenyl-N-(2-methylprop-1-enyl)octa-4,6-dien-3-imine

C14H21N — CID 143684728

IUPAC(4E,6Z)-4-ethenyl-N-(2-methylprop-1-enyl)octa-4,6-dien-3-imine
SMILESC=CC(=C\C=C/C)/C(CC)=N/C=C(C)C
InChIInChI=1S/C14H21N/c1-6-9-10-13(7-2)14(8-3)15-11-12(4)5/h6-7,9-11H,2,8H2,1,3-5H3/b9-6-,13-10+,15-14+
InChIKeyMQIAYIPAWVGVCX-JKUJSBGOSA-N
MW203.33 g/mol
LogP4.45
Rot. Bonds5

About (4E,6Z)-4-ethenyl-N-(2-methylprop-1-enyl)octa-4,6-dien-3-imine

(4E,6Z)-4-ethenyl-N-(2-methylprop-1-enyl)octa-4,6-dien-3-imine (PubChem CID 143684728) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is (4E,6Z)-4-ethenyl-N-(2-methylprop-1-enyl)octa-4,6-dien-3-imine.

Molecular Properties

Compound Name(4E,6Z)-4-ethenyl-N-(2-methylprop-1-enyl)octa-4,6-dien-3-imine
PubChem CID143684728
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name(4E,6Z)-4-ethenyl-N-(2-methylprop-1-enyl)octa-4,6-dien-3-imine
SMILESC=CC(=C\C=C/C)/C(CC)=N/C=C(C)C
InChIInChI=1S/C14H21N/c1-6-9-10-13(7-2)14(8-3)15-11-12(4)5/h6-7,9-11H,2,8H2,1,3-5H3/b9-6-,13-10+,15-14+
InChIKeyMQIAYIPAWVGVCX-JKUJSBGOSA-N
XLogP4.45
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 54.45
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

N-[(2Z,4E,6Z)-4-ethenylocta-2,4,6-trien-3-yl]butan-2-imine
CID 155717476
(4E,6Z)-4-ethenylocta-4,6-dien-3-one;N-methylmethanamine
CID 143337723
(3Z,4Z,6Z)-4-ethenyl-3-ethylideneocta-1,4,6-triene;methane
CID 142141594
N,N-diethylacetamide;(2E,4Z)-2-ethenyl-N,N-diethylhexa-2,4-dienamide
CID 145125978
(3E,5Z)-3-ethenyl-N-[(E)-4-methylhept-3-en-3-yl]-2-methylidenehepta-3,5-dien-1-imine
CID 170141500
(2Z,4E,6E,8Z)-6-ethenyl-4-methyl-5-[(Z)-prop-1-enyl]deca-2,4,6,8-tetraene
CID 143312341
ethane;2-methylbutane;(4E)-2-methylhexa-2,4-diene;2-methylpropane;prop-1-ene
CID 153392422
(3Z,5E,6E,8Z)-6-ethenyl-5-ethylidenedeca-1,3,6,8-tetraene
CID 142285656
(3Z,7E,9Z)-7-ethenyl-2-methyl-5,6-dimethylideneundeca-1,3,7,9-tetraene
CID 144553948
(2Z,5E)-5-ethenyl-8-methylnona-2,5,7-trien-4-imine
CID 156706976
(3Z,5Z,7Z)-5-[(Z)-but-2-en-2-yl]-3-methylnona-1,3,5,7-tetraene
CID 143450830
(2E,4Z)-2-ethenyl-N'-[(E)-2-ethenylbut-2-enyl]-N-methylidenehexa-2,4-dienimidamide
CID 142324465

Frequently Asked Questions

What is the IUPAC name of (4E,6Z)-4-ethenyl-N-(2-methylprop-1-enyl)octa-4,6-dien-3-imine?
The IUPAC name of (4E,6Z)-4-ethenyl-N-(2-methylprop-1-enyl)octa-4,6-dien-3-imine (CID 143684728) is (4E,6Z)-4-ethenyl-N-(2-methylprop-1-enyl)octa-4,6-dien-3-imine.
What is the SMILES notation for (4E,6Z)-4-ethenyl-N-(2-methylprop-1-enyl)octa-4,6-dien-3-imine?
The canonical SMILES for (4E,6Z)-4-ethenyl-N-(2-methylprop-1-enyl)octa-4,6-dien-3-imine is C=CC(=C\C=C/C)/C(CC)=N/C=C(C)C.
What is the InChIKey of (4E,6Z)-4-ethenyl-N-(2-methylprop-1-enyl)octa-4,6-dien-3-imine?
The InChIKey is MQIAYIPAWVGVCX-JKUJSBGOSA-N. The full InChI is InChI=1S/C14H21N/c1-6-9-10-13(7-2)14(8-3)15-11-12(4)5/h6-7,9-11H,2,8H2,1,3-5H3/b9-6-,13-10+,15-14+.
What are the key properties of (4E,6Z)-4-ethenyl-N-(2-methylprop-1-enyl)octa-4,6-dien-3-imine?
(4E,6Z)-4-ethenyl-N-(2-methylprop-1-enyl)octa-4,6-dien-3-imine has a molecular weight of 203.33 g/mol, XLogP of 4.45, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6Z)-4-ethenyl-N-(2-methylprop-1-enyl)octa-4,6-dien-3-imine is sourced from PubChem (CID 143684728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).