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

C11H19N — CID 129127018

IUPACN-[(4Z)-4-ethyl-6-methylhepta-4,6-dienyl]methanimine
SMILESC=NCCC/C(=C\C(=C)C)CC
InChIInChI=1S/C11H19N/c1-5-11(9-10(2)3)7-6-8-12-4/h9H,2,4-8H2,1,3H3/b11-9-
InChIKeySWHPKWDQFPPQEG-LUAWRHEFSA-N
MW165.28 g/mol
LogP3.38
Rot. Bonds6

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

N-[(4Z)-4-ethyl-6-methylhepta-4,6-dienyl]methanimine (PubChem CID 129127018) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is N-[(4Z)-4-ethyl-6-methylhepta-4,6-dienyl]methanimine.

Molecular Properties

Compound NameN-[(4Z)-4-ethyl-6-methylhepta-4,6-dienyl]methanimine
PubChem CID129127018
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC NameN-[(4Z)-4-ethyl-6-methylhepta-4,6-dienyl]methanimine
SMILESC=NCCC/C(=C\C(=C)C)CC
InChIInChI=1S/C11H19N/c1-5-11(9-10(2)3)7-6-8-12-4/h9H,2,4-8H2,1,3H3/b11-9-
InChIKeySWHPKWDQFPPQEG-LUAWRHEFSA-N
XLogP3.38
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.38
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)-4-ethyl-6-methylhepta-4,6-dienyl]methanimine?
The IUPAC name of N-[(4Z)-4-ethyl-6-methylhepta-4,6-dienyl]methanimine (CID 129127018) is N-[(4Z)-4-ethyl-6-methylhepta-4,6-dienyl]methanimine.
What is the SMILES notation for N-[(4Z)-4-ethyl-6-methylhepta-4,6-dienyl]methanimine?
The canonical SMILES for N-[(4Z)-4-ethyl-6-methylhepta-4,6-dienyl]methanimine is C=NCCC/C(=C\C(=C)C)CC.
What is the InChIKey of N-[(4Z)-4-ethyl-6-methylhepta-4,6-dienyl]methanimine?
The InChIKey is SWHPKWDQFPPQEG-LUAWRHEFSA-N. The full InChI is InChI=1S/C11H19N/c1-5-11(9-10(2)3)7-6-8-12-4/h9H,2,4-8H2,1,3H3/b11-9-.
What are the key properties of N-[(4Z)-4-ethyl-6-methylhepta-4,6-dienyl]methanimine?
N-[(4Z)-4-ethyl-6-methylhepta-4,6-dienyl]methanimine has a molecular weight of 165.28 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4Z)-4-ethyl-6-methylhepta-4,6-dienyl]methanimine is sourced from PubChem (CID 129127018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).