N-(2-methylcyclohexa-1,3-dien-1-yl)methanimine;N-methylethanamine

C11H20N2 — CID 142057447

IUPACN-(2-methylcyclohexa-1,3-dien-1-yl)methanimine;N-methylethanamine
SMILESC=NC1=C(C)C=CCC1.CCNC
InChIInChI=1S/C8H11N.C3H9N/c1-7-5-3-4-6-8(7)9-2;1-3-4-2/h3,5H,2,4,6H2,1H3;4H,3H2,1-2H3
InChIKeyUHXPVBFUMKNJQM-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.54
Rot. Bonds2

About N-(2-methylcyclohexa-1,3-dien-1-yl)methanimine;N-methylethanamine

N-(2-methylcyclohexa-1,3-dien-1-yl)methanimine;N-methylethanamine (PubChem CID 142057447) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is N-(2-methylcyclohexa-1,3-dien-1-yl)methanimine;N-methylethanamine.

Molecular Properties

Compound NameN-(2-methylcyclohexa-1,3-dien-1-yl)methanimine;N-methylethanamine
PubChem CID142057447
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC NameN-(2-methylcyclohexa-1,3-dien-1-yl)methanimine;N-methylethanamine
SMILESC=NC1=C(C)C=CCC1.CCNC
InChIInChI=1S/C8H11N.C3H9N/c1-7-5-3-4-6-8(7)9-2;1-3-4-2/h3,5H,2,4,6H2,1H3;4H,3H2,1-2H3
InChIKeyUHXPVBFUMKNJQM-UHFFFAOYSA-N
XLogP2.54
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-methylcyclohexa-1,3-dien-1-yl)methanimine;N-methylethanamine 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-(2-methylcyclohexa-1,3-dien-1-yl)methanimine;N-methylethanamine?
The IUPAC name of N-(2-methylcyclohexa-1,3-dien-1-yl)methanimine;N-methylethanamine (CID 142057447) is N-(2-methylcyclohexa-1,3-dien-1-yl)methanimine;N-methylethanamine.
What is the SMILES notation for N-(2-methylcyclohexa-1,3-dien-1-yl)methanimine;N-methylethanamine?
The canonical SMILES for N-(2-methylcyclohexa-1,3-dien-1-yl)methanimine;N-methylethanamine is C=NC1=C(C)C=CCC1.CCNC.
What is the InChIKey of N-(2-methylcyclohexa-1,3-dien-1-yl)methanimine;N-methylethanamine?
The InChIKey is UHXPVBFUMKNJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N.C3H9N/c1-7-5-3-4-6-8(7)9-2;1-3-4-2/h3,5H,2,4,6H2,1H3;4H,3H2,1-2H3.
What are the key properties of N-(2-methylcyclohexa-1,3-dien-1-yl)methanimine;N-methylethanamine?
N-(2-methylcyclohexa-1,3-dien-1-yl)methanimine;N-methylethanamine has a molecular weight of 180.29 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclohexa-1,3-dien-1-yl)methanimine;N-methylethanamine is sourced from PubChem (CID 142057447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).