N-[(4Z,6Z)-3-methylnona-4,6-dien-2-yl]methanimine

C11H19N — CID 126548984

IUPACN-[(4Z,6Z)-3-methylnona-4,6-dien-2-yl]methanimine
SMILESC=NC(C)C(C)/C=C\C=C/CC
InChIInChI=1S/C11H19N/c1-5-6-7-8-9-10(2)11(3)12-4/h6-11H,4-5H2,1-3H3/b7-6-,9-8-
InChIKeyANKMFHRCRLEPNS-JPDBVBESSA-N
MW165.28 g/mol
LogP3.23
Rot. Bonds5

About N-[(4Z,6Z)-3-methylnona-4,6-dien-2-yl]methanimine

N-[(4Z,6Z)-3-methylnona-4,6-dien-2-yl]methanimine (PubChem CID 126548984) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is N-[(4Z,6Z)-3-methylnona-4,6-dien-2-yl]methanimine.

Molecular Properties

Compound NameN-[(4Z,6Z)-3-methylnona-4,6-dien-2-yl]methanimine
PubChem CID126548984
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC NameN-[(4Z,6Z)-3-methylnona-4,6-dien-2-yl]methanimine
SMILESC=NC(C)C(C)/C=C\C=C/CC
InChIInChI=1S/C11H19N/c1-5-6-7-8-9-10(2)11(3)12-4/h6-11H,4-5H2,1-3H3/b7-6-,9-8-
InChIKeyANKMFHRCRLEPNS-JPDBVBESSA-N
XLogP3.23
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 ≤ 53.23
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'}

Analyze N-[(4Z,6Z)-3-methylnona-4,6-dien-2-yl]methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4Z,6Z)-3-methylnona-4,6-dien-2-yl]methanimine?
The IUPAC name of N-[(4Z,6Z)-3-methylnona-4,6-dien-2-yl]methanimine (CID 126548984) is N-[(4Z,6Z)-3-methylnona-4,6-dien-2-yl]methanimine.
What is the SMILES notation for N-[(4Z,6Z)-3-methylnona-4,6-dien-2-yl]methanimine?
The canonical SMILES for N-[(4Z,6Z)-3-methylnona-4,6-dien-2-yl]methanimine is C=NC(C)C(C)/C=C\C=C/CC.
What is the InChIKey of N-[(4Z,6Z)-3-methylnona-4,6-dien-2-yl]methanimine?
The InChIKey is ANKMFHRCRLEPNS-JPDBVBESSA-N. The full InChI is InChI=1S/C11H19N/c1-5-6-7-8-9-10(2)11(3)12-4/h6-11H,4-5H2,1-3H3/b7-6-,9-8-.
What are the key properties of N-[(4Z,6Z)-3-methylnona-4,6-dien-2-yl]methanimine?
N-[(4Z,6Z)-3-methylnona-4,6-dien-2-yl]methanimine has a molecular weight of 165.28 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4Z,6Z)-3-methylnona-4,6-dien-2-yl]methanimine is sourced from PubChem (CID 126548984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).