N-[2-(2-methylcyclohepta-1,3,6-trien-1-yl)ethyl]methanimine

C11H15N — CID 123423014

IUPACN-[2-(2-methylcyclohepta-1,3,6-trien-1-yl)ethyl]methanimine
SMILESC=NCCC1=C(C)C=CCC=C1
InChIInChI=1S/C11H15N/c1-10-6-4-3-5-7-11(10)8-9-12-2/h4-7H,2-3,8-9H2,1H3
InChIKeyOQSNVHHJNHUVCP-UHFFFAOYSA-N
MW161.25 g/mol
LogP2.91
Rot. Bonds3

About N-[2-(2-methylcyclohepta-1,3,6-trien-1-yl)ethyl]methanimine

N-[2-(2-methylcyclohepta-1,3,6-trien-1-yl)ethyl]methanimine (PubChem CID 123423014) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is N-[2-(2-methylcyclohepta-1,3,6-trien-1-yl)ethyl]methanimine.

Molecular Properties

Compound NameN-[2-(2-methylcyclohepta-1,3,6-trien-1-yl)ethyl]methanimine
PubChem CID123423014
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC NameN-[2-(2-methylcyclohepta-1,3,6-trien-1-yl)ethyl]methanimine
SMILESC=NCCC1=C(C)C=CCC=C1
InChIInChI=1S/C11H15N/c1-10-6-4-3-5-7-11(10)8-9-12-2/h4-7H,2-3,8-9H2,1H3
InChIKeyOQSNVHHJNHUVCP-UHFFFAOYSA-N
XLogP2.91
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-[2-(2-methylcyclohepta-1,3,6-trien-1-yl)ethyl]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-[(2Z)-4-fluoro-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]methanimine
CID 130413066
N-[(1E,3E,5Z)-4-ethyl-2-fluorohepta-1,3,5-trienyl]methanimine
CID 130413111
N-[(1Z,3Z)-6-fluoro-2-methylhepta-1,3-dienyl]methanimine
CID 153589803
(3E)-7-isocyanato-2-methylhepta-1,3-diene
CID 134857592
N-[(2Z,4E)-2-fluoro-3-methylhexa-2,4-dienyl]methanimine
CID 168197128
(2Z)-3-ethyl-N-methylpenta-2,4-dien-1-imine
CID 88441561
N-[(1Z,3E)-3-ethenylhexa-1,3-dienyl]methanimine
CID 88863922
N-(cyclohexa-2,4-dien-1-ylmethyl)methanimine
CID 89090874
N-[(1Z,4E)-3-methylidenehexa-1,4-dienyl]methanimine
CID 89276769
N-[(1Z,3E)-4-methyl-3-[(Z)-prop-1-enyl]hexa-1,3,5-trienyl]methanimine
CID 89502554
N-[(1Z,3Z)-2-ethylpenta-1,3-dienyl]methanimine
CID 90155529
N-[(1E,3E,4Z)-3-ethylidenehexa-1,4-dienyl]methanimine
CID 90160249

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylcyclohepta-1,3,6-trien-1-yl)ethyl]methanimine?
The IUPAC name of N-[2-(2-methylcyclohepta-1,3,6-trien-1-yl)ethyl]methanimine (CID 123423014) is N-[2-(2-methylcyclohepta-1,3,6-trien-1-yl)ethyl]methanimine.
What is the SMILES notation for N-[2-(2-methylcyclohepta-1,3,6-trien-1-yl)ethyl]methanimine?
The canonical SMILES for N-[2-(2-methylcyclohepta-1,3,6-trien-1-yl)ethyl]methanimine is C=NCCC1=C(C)C=CCC=C1.
What is the InChIKey of N-[2-(2-methylcyclohepta-1,3,6-trien-1-yl)ethyl]methanimine?
The InChIKey is OQSNVHHJNHUVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N/c1-10-6-4-3-5-7-11(10)8-9-12-2/h4-7H,2-3,8-9H2,1H3.
What are the key properties of N-[2-(2-methylcyclohepta-1,3,6-trien-1-yl)ethyl]methanimine?
N-[2-(2-methylcyclohepta-1,3,6-trien-1-yl)ethyl]methanimine has a molecular weight of 161.25 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylcyclohepta-1,3,6-trien-1-yl)ethyl]methanimine is sourced from PubChem (CID 123423014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).