2-methyl-6-azabicyclo[3.2.0]hept-2-en-6-amine

C7H12N2 — CID 135226738

IUPAC2-methyl-6-azabicyclo[3.2.0]hept-2-en-6-amine
SMILESCC1=CCC2C1CN2N
InChIInChI=1S/C7H12N2/c1-5-2-3-7-6(5)4-9(7)8/h2,6-7H,3-4,8H2,1H3
InChIKeyYBVGDLZEFWAQHE-UHFFFAOYSA-N
MW124.19 g/mol
LogP0.51
Rot. Bonds

About 2-methyl-6-azabicyclo[3.2.0]hept-2-en-6-amine

2-methyl-6-azabicyclo[3.2.0]hept-2-en-6-amine (PubChem CID 135226738) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 2-methyl-6-azabicyclo[3.2.0]hept-2-en-6-amine.

Molecular Properties

Compound Name2-methyl-6-azabicyclo[3.2.0]hept-2-en-6-amine
PubChem CID135226738
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name2-methyl-6-azabicyclo[3.2.0]hept-2-en-6-amine
SMILESCC1=CCC2C1CN2N
InChIInChI=1S/C7H12N2/c1-5-2-3-7-6(5)4-9(7)8/h2,6-7H,3-4,8H2,1H3
InChIKeyYBVGDLZEFWAQHE-UHFFFAOYSA-N
XLogP0.51
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methyl-6-azabicyclo[3.2.0]hept-2-en-6-amine 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 2-methyl-6-azabicyclo[3.2.0]hept-2-en-6-amine?
The IUPAC name of 2-methyl-6-azabicyclo[3.2.0]hept-2-en-6-amine (CID 135226738) is 2-methyl-6-azabicyclo[3.2.0]hept-2-en-6-amine.
What is the SMILES notation for 2-methyl-6-azabicyclo[3.2.0]hept-2-en-6-amine?
The canonical SMILES for 2-methyl-6-azabicyclo[3.2.0]hept-2-en-6-amine is CC1=CCC2C1CN2N.
What is the InChIKey of 2-methyl-6-azabicyclo[3.2.0]hept-2-en-6-amine?
The InChIKey is YBVGDLZEFWAQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-5-2-3-7-6(5)4-9(7)8/h2,6-7H,3-4,8H2,1H3.
What are the key properties of 2-methyl-6-azabicyclo[3.2.0]hept-2-en-6-amine?
2-methyl-6-azabicyclo[3.2.0]hept-2-en-6-amine has a molecular weight of 124.19 g/mol, XLogP of 0.51, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-azabicyclo[3.2.0]hept-2-en-6-amine is sourced from PubChem (CID 135226738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).