N-[(2E,4E)-5-methylnona-2,4-dien-4-yl]methanimine

C11H19N — CID 134464155

IUPACN-[(2E,4E)-5-methylnona-2,4-dien-4-yl]methanimine
SMILESC=NC(/C=C/C)=C(\C)CCCC
InChIInChI=1S/C11H19N/c1-5-7-9-10(3)11(12-4)8-6-2/h6,8H,4-5,7,9H2,1-3H3/b8-6+,11-10+
InChIKeyITGRIKMYFJERNP-UMYLGFLZSA-N
MW165.28 g/mol
LogP3.73
Rot. Bonds5

About N-[(2E,4E)-5-methylnona-2,4-dien-4-yl]methanimine

N-[(2E,4E)-5-methylnona-2,4-dien-4-yl]methanimine (PubChem CID 134464155) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is N-[(2E,4E)-5-methylnona-2,4-dien-4-yl]methanimine.

Molecular Properties

Compound NameN-[(2E,4E)-5-methylnona-2,4-dien-4-yl]methanimine
PubChem CID134464155
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC NameN-[(2E,4E)-5-methylnona-2,4-dien-4-yl]methanimine
SMILESC=NC(/C=C/C)=C(\C)CCCC
InChIInChI=1S/C11H19N/c1-5-7-9-10(3)11(12-4)8-6-2/h6,8H,4-5,7,9H2,1-3H3/b8-6+,11-10+
InChIKeyITGRIKMYFJERNP-UMYLGFLZSA-N
XLogP3.73
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.73
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of N-[(2E,4E)-5-methylnona-2,4-dien-4-yl]methanimine?
The IUPAC name of N-[(2E,4E)-5-methylnona-2,4-dien-4-yl]methanimine (CID 134464155) is N-[(2E,4E)-5-methylnona-2,4-dien-4-yl]methanimine.
What is the SMILES notation for N-[(2E,4E)-5-methylnona-2,4-dien-4-yl]methanimine?
The canonical SMILES for N-[(2E,4E)-5-methylnona-2,4-dien-4-yl]methanimine is C=NC(/C=C/C)=C(\C)CCCC.
What is the InChIKey of N-[(2E,4E)-5-methylnona-2,4-dien-4-yl]methanimine?
The InChIKey is ITGRIKMYFJERNP-UMYLGFLZSA-N. The full InChI is InChI=1S/C11H19N/c1-5-7-9-10(3)11(12-4)8-6-2/h6,8H,4-5,7,9H2,1-3H3/b8-6+,11-10+.
What are the key properties of N-[(2E,4E)-5-methylnona-2,4-dien-4-yl]methanimine?
N-[(2E,4E)-5-methylnona-2,4-dien-4-yl]methanimine has a molecular weight of 165.28 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,4E)-5-methylnona-2,4-dien-4-yl]methanimine is sourced from PubChem (CID 134464155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).