1-methyl-6-azabicyclo[3.1.1]heptane

C7H13N — CID 144585149

IUPAC1-methyl-6-azabicyclo[3.1.1]heptane
SMILESCC12CCCC(C1)N2
InChIInChI=1S/C7H13N/c1-7-4-2-3-6(5-7)8-7/h6,8H,2-5H2,1H3
InChIKeyJTFGDSDZXAGLKW-UHFFFAOYSA-N
MW111.19 g/mol
LogP1.29
Rot. Bonds

About 1-methyl-6-azabicyclo[3.1.1]heptane

1-methyl-6-azabicyclo[3.1.1]heptane (PubChem CID 144585149) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is 1-methyl-6-azabicyclo[3.1.1]heptane.

Molecular Properties

Compound Name1-methyl-6-azabicyclo[3.1.1]heptane
PubChem CID144585149
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name1-methyl-6-azabicyclo[3.1.1]heptane
SMILESCC12CCCC(C1)N2
InChIInChI=1S/C7H13N/c1-7-4-2-3-6(5-7)8-7/h6,8H,2-5H2,1H3
InChIKeyJTFGDSDZXAGLKW-UHFFFAOYSA-N
XLogP1.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-methyl-6-azabicyclo[3.1.1]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 1-methyl-6-azabicyclo[3.1.1]heptane?
The IUPAC name of 1-methyl-6-azabicyclo[3.1.1]heptane (CID 144585149) is 1-methyl-6-azabicyclo[3.1.1]heptane.
What is the SMILES notation for 1-methyl-6-azabicyclo[3.1.1]heptane?
The canonical SMILES for 1-methyl-6-azabicyclo[3.1.1]heptane is CC12CCCC(C1)N2.
What is the InChIKey of 1-methyl-6-azabicyclo[3.1.1]heptane?
The InChIKey is JTFGDSDZXAGLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N/c1-7-4-2-3-6(5-7)8-7/h6,8H,2-5H2,1H3.
What are the key properties of 1-methyl-6-azabicyclo[3.1.1]heptane?
1-methyl-6-azabicyclo[3.1.1]heptane has a molecular weight of 111.19 g/mol, XLogP of 1.29, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-azabicyclo[3.1.1]heptane is sourced from PubChem (CID 144585149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).