N-[(4Z)-hepta-4,6-dienyl]methanimine

C8H13N — CID 163951414

IUPACN-[(4Z)-hepta-4,6-dienyl]methanimine
SMILESC=C/C=C\CCCN=C
InChIInChI=1S/C8H13N/c1-3-4-5-6-7-8-9-2/h3-5H,1-2,6-8H2/b5-4-
InChIKeyRZQKCEXWJVCTOV-PLNGDYQASA-N
MW123.20 g/mol
LogP2.21
Rot. Bonds5

About N-[(4Z)-hepta-4,6-dienyl]methanimine

N-[(4Z)-hepta-4,6-dienyl]methanimine (PubChem CID 163951414) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is N-[(4Z)-hepta-4,6-dienyl]methanimine.

Molecular Properties

Compound NameN-[(4Z)-hepta-4,6-dienyl]methanimine
PubChem CID163951414
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC NameN-[(4Z)-hepta-4,6-dienyl]methanimine
SMILESC=C/C=C\CCCN=C
InChIInChI=1S/C8H13N/c1-3-4-5-6-7-8-9-2/h3-5H,1-2,6-8H2/b5-4-
InChIKeyRZQKCEXWJVCTOV-PLNGDYQASA-N
XLogP2.21
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4Z)-hepta-4,6-dienyl]methanimine?
The IUPAC name of N-[(4Z)-hepta-4,6-dienyl]methanimine (CID 163951414) is N-[(4Z)-hepta-4,6-dienyl]methanimine.
What is the SMILES notation for N-[(4Z)-hepta-4,6-dienyl]methanimine?
The canonical SMILES for N-[(4Z)-hepta-4,6-dienyl]methanimine is C=C/C=C\CCCN=C.
What is the InChIKey of N-[(4Z)-hepta-4,6-dienyl]methanimine?
The InChIKey is RZQKCEXWJVCTOV-PLNGDYQASA-N. The full InChI is InChI=1S/C8H13N/c1-3-4-5-6-7-8-9-2/h3-5H,1-2,6-8H2/b5-4-.
What are the key properties of N-[(4Z)-hepta-4,6-dienyl]methanimine?
N-[(4Z)-hepta-4,6-dienyl]methanimine has a molecular weight of 123.20 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4Z)-hepta-4,6-dienyl]methanimine is sourced from PubChem (CID 163951414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).