(4Z,6Z)-octa-4,6-dien-3-imine

C8H13N — CID 118176029

IUPAC(4Z,6Z)-octa-4,6-dien-3-imine
SMILES[H]/N=C(/C=C\C=C/C)CC
InChIInChI=1S/C8H13N/c1-3-5-6-7-8(9)4-2/h3,5-7,9H,4H2,1-2H3/b5-3-,7-6-,9-8+
InChIKeyMZBXMSKMGYZYEH-BBMAVBMISA-N
MW123.20 g/mol
LogP2.55
Rot. Bonds3

About (4Z,6Z)-octa-4,6-dien-3-imine

(4Z,6Z)-octa-4,6-dien-3-imine (PubChem CID 118176029) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is (4Z,6Z)-octa-4,6-dien-3-imine.

Molecular Properties

Compound Name(4Z,6Z)-octa-4,6-dien-3-imine
PubChem CID118176029
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name(4Z,6Z)-octa-4,6-dien-3-imine
SMILES[H]/N=C(/C=C\C=C/C)CC
InChIInChI=1S/C8H13N/c1-3-5-6-7-8(9)4-2/h3,5-7,9H,4H2,1-2H3/b5-3-,7-6-,9-8+
InChIKeyMZBXMSKMGYZYEH-BBMAVBMISA-N
XLogP2.55
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.55
H-Bond Donors ≤ 51
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

Cyclohexa-2,4-dien-1-imine
CID 14398587
3,5-Cyclohexadiene-1,2-diimine
CID 5475975
1-Methyl-2-imino-3,5-cyclohexadiene
CID 14398589
Toluquinone diimine
CID 57641797
1-Ethyl-2-imino-3,5-cyclohexadiene
CID 85894878
3-Ethenyl-5-fluorohepta-3,5-dien-2-imine
CID 90894939
(3Z)-5-fluorohexa-3,5-dien-2-imine
CID 91396866
(Z)-6-fluorohex-4-en-3-imine
CID 123311862
(4Z)-6,7-difluoroocta-4,6-dien-2-imine
CID 123446884
5-Fluoro-6-methylhepta-4,6-dien-2-imine
CID 123502589
4-Fluorocycloocta-2,4-dien-1-imine
CID 123597459
(4E)-5-fluorohepta-4,6-dien-3-imine
CID 123678972

Frequently Asked Questions

What is the IUPAC name of (4Z,6Z)-octa-4,6-dien-3-imine?
The IUPAC name of (4Z,6Z)-octa-4,6-dien-3-imine (CID 118176029) is (4Z,6Z)-octa-4,6-dien-3-imine.
What is the SMILES notation for (4Z,6Z)-octa-4,6-dien-3-imine?
The canonical SMILES for (4Z,6Z)-octa-4,6-dien-3-imine is [H]/N=C(/C=C\C=C/C)CC.
What is the InChIKey of (4Z,6Z)-octa-4,6-dien-3-imine?
The InChIKey is MZBXMSKMGYZYEH-BBMAVBMISA-N. The full InChI is InChI=1S/C8H13N/c1-3-5-6-7-8(9)4-2/h3,5-7,9H,4H2,1-2H3/b5-3-,7-6-,9-8+.
What are the key properties of (4Z,6Z)-octa-4,6-dien-3-imine?
(4Z,6Z)-octa-4,6-dien-3-imine has a molecular weight of 123.20 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6Z)-octa-4,6-dien-3-imine is sourced from PubChem (CID 118176029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).