N-(2-methylhepta-3,5-dien-3-yl)methanimine

C9H15N — CID 123802493

IUPACN-(2-methylhepta-3,5-dien-3-yl)methanimine
SMILESC=NC(=CC=CC)C(C)C
InChIInChI=1S/C9H15N/c1-5-6-7-9(10-4)8(2)3/h5-8H,4H2,1-3H3
InChIKeyPRUCABNJALKHPJ-UHFFFAOYSA-N
MW137.23 g/mol
LogP2.80
Rot. Bonds3

About N-(2-methylhepta-3,5-dien-3-yl)methanimine

N-(2-methylhepta-3,5-dien-3-yl)methanimine (PubChem CID 123802493) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is N-(2-methylhepta-3,5-dien-3-yl)methanimine.

Molecular Properties

Compound NameN-(2-methylhepta-3,5-dien-3-yl)methanimine
PubChem CID123802493
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC NameN-(2-methylhepta-3,5-dien-3-yl)methanimine
SMILESC=NC(=CC=CC)C(C)C
InChIInChI=1S/C9H15N/c1-5-6-7-9(10-4)8(2)3/h5-8H,4H2,1-3H3
InChIKeyPRUCABNJALKHPJ-UHFFFAOYSA-N
XLogP2.80
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.80
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-(2-methylhepta-3,5-dien-3-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

Related Compounds

N-(3-fluoro-5-methylhexa-1,3,5-trien-2-yl)methanimine
CID 91170852
N-(6-fluoro-4-prop-1-enylhepta-3,5-dien-3-yl)methanimine
CID 124034785
N-[(3Z,5E)-6-fluoro-2,4-dimethylhepta-3,5-dien-3-yl]methanimine
CID 129051517
N-[(3E,5E)-4,6-difluoro-2-methylhepta-3,5-dien-3-yl]methanimine
CID 130218533
N-[(2E,4Z)-3-fluoro-4-methylhexa-2,4-dien-2-yl]methanimine
CID 134441063
N-[4-fluoro-7-[(Z)-prop-1-enyl]cyclohepta-1,3,6-trien-1-yl]methanimine
CID 135128525
N-[(2Z,4E)-3-(2-fluoroethyl)hexa-2,4-dien-2-yl]methanimine
CID 137467845
N-[(3Z)-2-fluoro-6-methylhepta-1,3-dien-4-yl]methanimine
CID 143321312
N-[(3E,5E)-4-[(E)-2-fluoroethenyl]hepta-1,3,5-trien-3-yl]methanimine
CID 144360493
N-[(Z,4E)-4-(2-fluorocyclohexa-2,4-dien-1-ylidene)pent-2-en-2-yl]methanimine
CID 145509789
N-[(3E)-4-fluoro-5-methylhexa-1,3,5-trien-2-yl]methanimine
CID 169683378
N-[(3E)-4-fluoro-2-methylhexa-3,5-dien-3-yl]methanimine
CID 171519505

Frequently Asked Questions

What is the IUPAC name of N-(2-methylhepta-3,5-dien-3-yl)methanimine?
The IUPAC name of N-(2-methylhepta-3,5-dien-3-yl)methanimine (CID 123802493) is N-(2-methylhepta-3,5-dien-3-yl)methanimine.
What is the SMILES notation for N-(2-methylhepta-3,5-dien-3-yl)methanimine?
The canonical SMILES for N-(2-methylhepta-3,5-dien-3-yl)methanimine is C=NC(=CC=CC)C(C)C.
What is the InChIKey of N-(2-methylhepta-3,5-dien-3-yl)methanimine?
The InChIKey is PRUCABNJALKHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-5-6-7-9(10-4)8(2)3/h5-8H,4H2,1-3H3.
What are the key properties of N-(2-methylhepta-3,5-dien-3-yl)methanimine?
N-(2-methylhepta-3,5-dien-3-yl)methanimine has a molecular weight of 137.23 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylhepta-3,5-dien-3-yl)methanimine is sourced from PubChem (CID 123802493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).