(4Z,6Z)-3-methylideneocta-4,6-dien-2-imine

C9H13N — CID 88953849

IUPAC(4Z,6Z)-3-methylideneocta-4,6-dien-2-imine
SMILES[H]/N=C(\C)C(=C)/C=C\C=C/C
InChIInChI=1S/C9H13N/c1-4-5-6-7-8(2)9(3)10/h4-7,10H,2H2,1,3H3/b5-4-,7-6-,10-9+
InChIKeyQOYIVXURKRITKB-KVEPPTFVSA-N
MW135.21 g/mol
LogP2.71
Rot. Bonds3

About (4Z,6Z)-3-methylideneocta-4,6-dien-2-imine

(4Z,6Z)-3-methylideneocta-4,6-dien-2-imine (PubChem CID 88953849) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is (4Z,6Z)-3-methylideneocta-4,6-dien-2-imine.

Molecular Properties

Compound Name(4Z,6Z)-3-methylideneocta-4,6-dien-2-imine
PubChem CID88953849
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name(4Z,6Z)-3-methylideneocta-4,6-dien-2-imine
SMILES[H]/N=C(\C)C(=C)/C=C\C=C/C
InChIInChI=1S/C9H13N/c1-4-5-6-7-8(2)9(3)10/h4-7,10H,2H2,1,3H3/b5-4-,7-6-,10-9+
InChIKeyQOYIVXURKRITKB-KVEPPTFVSA-N
XLogP2.71
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 52.71
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

6-Methylenecyclohexa-2,4-dienimine
CID 10909510
1-Methyl-2-imino-3,5-cyclohexadiene
CID 14398589
2,6-Dimethylhepta-2,5-dien-4-imine
CID 23064947
Toluquinone diimine
CID 57641797
1-Ethyl-2-imino-3,5-cyclohexadiene
CID 85894878
(4-Propan-2-ylidenecyclohexa-2,5-dien-1-ylidene)azanium
CID 86016874
Dibenzocycloheptenimin
CID 129628903
3-Ethenyl-5-fluorohepta-3,5-dien-2-imine
CID 90894939
(3E)-3-fluoro-5-methylhexa-3,5-dien-2-imine
CID 91342165
(3Z)-5-fluoro-3-methylhexa-3,5-dien-2-imine
CID 91576140
(3Z,5Z)-1,1,1-trifluoro-3-methylhepta-3,5-dien-2-imine
CID 118102417
(3E,5Z)-3-(trifluoromethyl)hepta-3,5-dien-2-imine
CID 122417254

Frequently Asked Questions

What is the IUPAC name of (4Z,6Z)-3-methylideneocta-4,6-dien-2-imine?
The IUPAC name of (4Z,6Z)-3-methylideneocta-4,6-dien-2-imine (CID 88953849) is (4Z,6Z)-3-methylideneocta-4,6-dien-2-imine.
What is the SMILES notation for (4Z,6Z)-3-methylideneocta-4,6-dien-2-imine?
The canonical SMILES for (4Z,6Z)-3-methylideneocta-4,6-dien-2-imine is [H]/N=C(\C)C(=C)/C=C\C=C/C.
What is the InChIKey of (4Z,6Z)-3-methylideneocta-4,6-dien-2-imine?
The InChIKey is QOYIVXURKRITKB-KVEPPTFVSA-N. The full InChI is InChI=1S/C9H13N/c1-4-5-6-7-8(2)9(3)10/h4-7,10H,2H2,1,3H3/b5-4-,7-6-,10-9+.
What are the key properties of (4Z,6Z)-3-methylideneocta-4,6-dien-2-imine?
(4Z,6Z)-3-methylideneocta-4,6-dien-2-imine has a molecular weight of 135.21 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6Z)-3-methylideneocta-4,6-dien-2-imine is sourced from PubChem (CID 88953849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).