(4Z)-6-methylhepta-4,6-dien-2-imine

C8H13N — CID 91487307

IUPAC(4Z)-6-methylhepta-4,6-dien-2-imine
SMILES[H]/N=C(\C)C/C=C\C(=C)C
InChIInChI=1S/C8H13N/c1-7(2)5-4-6-8(3)9/h4-5,9H,1,6H2,2-3H3/b5-4-,9-8+
InChIKeyBWMXEGOSOKLXHS-FTGFODROSA-N
MW123.20 g/mol
LogP2.55
Rot. Bonds3

About (4Z)-6-methylhepta-4,6-dien-2-imine

(4Z)-6-methylhepta-4,6-dien-2-imine (PubChem CID 91487307) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is (4Z)-6-methylhepta-4,6-dien-2-imine.

Molecular Properties

Compound Name(4Z)-6-methylhepta-4,6-dien-2-imine
PubChem CID91487307
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name(4Z)-6-methylhepta-4,6-dien-2-imine
SMILES[H]/N=C(\C)C/C=C\C(=C)C
InChIInChI=1S/C8H13N/c1-7(2)5-4-6-8(3)9/h4-5,9H,1,6H2,2-3H3/b5-4-,9-8+
InChIKeyBWMXEGOSOKLXHS-FTGFODROSA-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

6-Methylenecyclohexa-2,4-dienimine
CID 10909510
1-Methyl-2-imino-3,5-cyclohexadiene
CID 14398589
Toluquinone diimine
CID 57641797
(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
(3Z)-5-fluoro-3-methylhexa-3,5-dien-2-imine
CID 91576140
(3E,5Z)-3-(trifluoromethyl)hepta-3,5-dien-2-imine
CID 122417254
4-Ethyl-5-fluorohepta-4,6-dien-3-imine
CID 123295188
(4Z)-6,7-difluoroocta-4,6-dien-2-imine
CID 123446884
5-Fluoro-6-methylhepta-4,6-dien-2-imine
CID 123502589
(4E)-5-fluorohepta-4,6-dien-3-imine
CID 123678972

Frequently Asked Questions

What is the IUPAC name of (4Z)-6-methylhepta-4,6-dien-2-imine?
The IUPAC name of (4Z)-6-methylhepta-4,6-dien-2-imine (CID 91487307) is (4Z)-6-methylhepta-4,6-dien-2-imine.
What is the SMILES notation for (4Z)-6-methylhepta-4,6-dien-2-imine?
The canonical SMILES for (4Z)-6-methylhepta-4,6-dien-2-imine is [H]/N=C(\C)C/C=C\C(=C)C.
What is the InChIKey of (4Z)-6-methylhepta-4,6-dien-2-imine?
The InChIKey is BWMXEGOSOKLXHS-FTGFODROSA-N. The full InChI is InChI=1S/C8H13N/c1-7(2)5-4-6-8(3)9/h4-5,9H,1,6H2,2-3H3/b5-4-,9-8+.
What are the key properties of (4Z)-6-methylhepta-4,6-dien-2-imine?
(4Z)-6-methylhepta-4,6-dien-2-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)-6-methylhepta-4,6-dien-2-imine is sourced from PubChem (CID 91487307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).