4-methylnona-2,4,6,8-tetraen-1-imine

C10H13N — CID 91326389

IUPAC4-methylnona-2,4,6,8-tetraen-1-imine
SMILES[H]/N=C/C=CC(C)=CC=CC=C
InChIInChI=1S/C10H13N/c1-3-4-5-7-10(2)8-6-9-11/h3-9,11H,1H2,2H3/b5-4?,8-6?,10-7?,11-9+
InChIKeyCPPJMWPSQNCTTR-IWGVEELESA-N
MW147.22 g/mol
LogP2.88
Rot. Bonds4

About 4-methylnona-2,4,6,8-tetraen-1-imine

4-methylnona-2,4,6,8-tetraen-1-imine (PubChem CID 91326389) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is 4-methylnona-2,4,6,8-tetraen-1-imine.

Molecular Properties

Compound Name4-methylnona-2,4,6,8-tetraen-1-imine
PubChem CID91326389
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC Name4-methylnona-2,4,6,8-tetraen-1-imine
SMILES[H]/N=C/C=CC(C)=CC=CC=C
InChIInChI=1S/C10H13N/c1-3-4-5-7-10(2)8-6-9-11/h3-9,11H,1H2,2H3/b5-4?,8-6?,10-7?,11-9+
InChIKeyCPPJMWPSQNCTTR-IWGVEELESA-N
XLogP2.88
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 52.88
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'}

Analyze 4-methylnona-2,4,6,8-tetraen-1-imine 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 4-methylnona-2,4,6,8-tetraen-1-imine?
The IUPAC name of 4-methylnona-2,4,6,8-tetraen-1-imine (CID 91326389) is 4-methylnona-2,4,6,8-tetraen-1-imine.
What is the SMILES notation for 4-methylnona-2,4,6,8-tetraen-1-imine?
The canonical SMILES for 4-methylnona-2,4,6,8-tetraen-1-imine is [H]/N=C/C=CC(C)=CC=CC=C.
What is the InChIKey of 4-methylnona-2,4,6,8-tetraen-1-imine?
The InChIKey is CPPJMWPSQNCTTR-IWGVEELESA-N. The full InChI is InChI=1S/C10H13N/c1-3-4-5-7-10(2)8-6-9-11/h3-9,11H,1H2,2H3/b5-4?,8-6?,10-7?,11-9+.
What are the key properties of 4-methylnona-2,4,6,8-tetraen-1-imine?
4-methylnona-2,4,6,8-tetraen-1-imine has a molecular weight of 147.22 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylnona-2,4,6,8-tetraen-1-imine is sourced from PubChem (CID 91326389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).