2-methyl-N-(2-methylhexa-2,4-dien-3-yl)propan-1-imine

C11H19N — CID 123731652

IUPAC2-methyl-N-(2-methylhexa-2,4-dien-3-yl)propan-1-imine
SMILESCC=CC(/N=C/C(C)C)=C(C)C
InChIInChI=1S/C11H19N/c1-6-7-11(10(4)5)12-8-9(2)3/h6-9H,1-5H3/b7-6?,12-8+
InChIKeyLFOYGMACVSXZSA-RJCKXXPUSA-N
MW165.28 g/mol
LogP3.58
Rot. Bonds3

About 2-methyl-N-(2-methylhexa-2,4-dien-3-yl)propan-1-imine

2-methyl-N-(2-methylhexa-2,4-dien-3-yl)propan-1-imine (PubChem CID 123731652) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 2-methyl-N-(2-methylhexa-2,4-dien-3-yl)propan-1-imine.

Molecular Properties

Compound Name2-methyl-N-(2-methylhexa-2,4-dien-3-yl)propan-1-imine
PubChem CID123731652
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name2-methyl-N-(2-methylhexa-2,4-dien-3-yl)propan-1-imine
SMILESCC=CC(/N=C/C(C)C)=C(C)C
InChIInChI=1S/C11H19N/c1-6-7-11(10(4)5)12-8-9(2)3/h6-9H,1-5H3/b7-6?,12-8+
InChIKeyLFOYGMACVSXZSA-RJCKXXPUSA-N
XLogP3.58
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.58
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 2-methyl-N-(2-methylhexa-2,4-dien-3-yl)propan-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

Related Compounds

N-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]-2-methylbutan-1-imine
CID 142106097
N-[(2Z,4Z,6Z)-5-(ethylideneamino)octa-2,4,6-trien-4-yl]ethanimine
CID 89207277
2-methyl-N-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]prop-2-en-1-imine
CID 89426811
N-[(3E,5Z)-3-methylhepta-1,3,5-trien-4-yl]prop-2-en-1-imine
CID 89502556
N-[(3Z)-4-methylhexa-1,3,5-trien-2-yl]propan-1-imine
CID 90734347
N-[(4E)-2,6-dimethylocta-2,4,6-trien-3-yl]ethanimine
CID 90909232
N-[(3Z,5Z)-2-methyl-4-(methylideneamino)octa-1,3,5,7-tetraen-3-yl]propan-1-imine
CID 90973145
N-[(3E)-hexa-1,3,5-trien-2-yl]ethanimine
CID 91052031
2-methyl-N-[(3Z)-4-methylhepta-1,3,5-trien-2-yl]propan-1-imine
CID 91190312
N-buta-1,3-dien-2-yl-2-methylpropan-1-imine
CID 91254329
N-(2-methyl-4-methylidenehepta-2,5-dien-3-yl)ethanimine
CID 123230592
N-[(3Z)-penta-1,3-dien-3-yl]propan-1-imine
CID 123267998

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylhexa-2,4-dien-3-yl)propan-1-imine?
The IUPAC name of 2-methyl-N-(2-methylhexa-2,4-dien-3-yl)propan-1-imine (CID 123731652) is 2-methyl-N-(2-methylhexa-2,4-dien-3-yl)propan-1-imine.
What is the SMILES notation for 2-methyl-N-(2-methylhexa-2,4-dien-3-yl)propan-1-imine?
The canonical SMILES for 2-methyl-N-(2-methylhexa-2,4-dien-3-yl)propan-1-imine is CC=CC(/N=C/C(C)C)=C(C)C.
What is the InChIKey of 2-methyl-N-(2-methylhexa-2,4-dien-3-yl)propan-1-imine?
The InChIKey is LFOYGMACVSXZSA-RJCKXXPUSA-N. The full InChI is InChI=1S/C11H19N/c1-6-7-11(10(4)5)12-8-9(2)3/h6-9H,1-5H3/b7-6?,12-8+.
What are the key properties of 2-methyl-N-(2-methylhexa-2,4-dien-3-yl)propan-1-imine?
2-methyl-N-(2-methylhexa-2,4-dien-3-yl)propan-1-imine has a molecular weight of 165.28 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylhexa-2,4-dien-3-yl)propan-1-imine is sourced from PubChem (CID 123731652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).