2-methyl-2-azabicyclo[2.2.1]heptane

C7H13N — CID 20618

IUPAC2-methyl-2-azabicyclo[2.2.1]heptane
SMILESCN1CC2CCC1C2
InChIInChI=1S/C7H13N/c1-8-5-6-2-3-7(8)4-6/h6-7H,2-5H2,1H3
InChIKeyLLAMAEIOZLEXMF-UHFFFAOYSA-N
MW111.19 g/mol
LogP1.10
Rot. Bonds

About 2-methyl-2-azabicyclo[2.2.1]heptane

2-methyl-2-azabicyclo[2.2.1]heptane (PubChem CID 20618) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is 2-methyl-2-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-methyl-2-azabicyclo[2.2.1]heptane
PubChem CID20618
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name2-methyl-2-azabicyclo[2.2.1]heptane
SMILESCN1CC2CCC1C2
InChIInChI=1S/C7H13N/c1-8-5-6-2-3-7(8)4-6/h6-7H,2-5H2,1H3
InChIKeyLLAMAEIOZLEXMF-UHFFFAOYSA-N
XLogP1.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-methyl-2-azabicyclo[2.2.1]heptane 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-2-azabicyclo[2.2.1]heptane?
The IUPAC name of 2-methyl-2-azabicyclo[2.2.1]heptane (CID 20618) is 2-methyl-2-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 2-methyl-2-azabicyclo[2.2.1]heptane?
The canonical SMILES for 2-methyl-2-azabicyclo[2.2.1]heptane is CN1CC2CCC1C2.
What is the InChIKey of 2-methyl-2-azabicyclo[2.2.1]heptane?
The InChIKey is LLAMAEIOZLEXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N/c1-8-5-6-2-3-7(8)4-6/h6-7H,2-5H2,1H3.
What are the key properties of 2-methyl-2-azabicyclo[2.2.1]heptane?
2-methyl-2-azabicyclo[2.2.1]heptane has a molecular weight of 111.19 g/mol, XLogP of 1.10, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 20618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).