2-methyl-2-azabicyclo[2.2.1]heptane;2-methyl-2,5-diazabicyclo[2.2.1]heptane

C13H25N3 — CID 144525170

IUPAC2-methyl-2-azabicyclo[2.2.1]heptane;2-methyl-2,5-diazabicyclo[2.2.1]heptane
SMILESCN1CC2CC1CN2.CN1CC2CCC1C2
InChIInChI=1S/C7H13N.C6H12N2/c1-8-5-6-2-3-7(8)4-6;1-8-4-5-2-6(8)3-7-5/h6-7H,2-5H2,1H3;5-7H,2-4H2,1H3
InChIKeyVSFORMOISIHWTH-UHFFFAOYSA-N
MW223.36 g/mol
LogP0.76
Rot. Bonds

About 2-methyl-2-azabicyclo[2.2.1]heptane;2-methyl-2,5-diazabicyclo[2.2.1]heptane

2-methyl-2-azabicyclo[2.2.1]heptane;2-methyl-2,5-diazabicyclo[2.2.1]heptane (PubChem CID 144525170) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 2-methyl-2-azabicyclo[2.2.1]heptane;2-methyl-2,5-diazabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-methyl-2-azabicyclo[2.2.1]heptane;2-methyl-2,5-diazabicyclo[2.2.1]heptane
PubChem CID144525170
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name2-methyl-2-azabicyclo[2.2.1]heptane;2-methyl-2,5-diazabicyclo[2.2.1]heptane
SMILESCN1CC2CC1CN2.CN1CC2CCC1C2
InChIInChI=1S/C7H13N.C6H12N2/c1-8-5-6-2-3-7(8)4-6;1-8-4-5-2-6(8)3-7-5/h6-7H,2-5H2,1H3;5-7H,2-4H2,1H3
InChIKeyVSFORMOISIHWTH-UHFFFAOYSA-N
XLogP0.76
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-2-azabicyclo[2.2.1]heptane;2-methyl-2,5-diazabicyclo[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;2-methyl-2,5-diazabicyclo[2.2.1]heptane?
The IUPAC name of 2-methyl-2-azabicyclo[2.2.1]heptane;2-methyl-2,5-diazabicyclo[2.2.1]heptane (CID 144525170) is 2-methyl-2-azabicyclo[2.2.1]heptane;2-methyl-2,5-diazabicyclo[2.2.1]heptane.
What is the SMILES notation for 2-methyl-2-azabicyclo[2.2.1]heptane;2-methyl-2,5-diazabicyclo[2.2.1]heptane?
The canonical SMILES for 2-methyl-2-azabicyclo[2.2.1]heptane;2-methyl-2,5-diazabicyclo[2.2.1]heptane is CN1CC2CC1CN2.CN1CC2CCC1C2.
What is the InChIKey of 2-methyl-2-azabicyclo[2.2.1]heptane;2-methyl-2,5-diazabicyclo[2.2.1]heptane?
The InChIKey is VSFORMOISIHWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N.C6H12N2/c1-8-5-6-2-3-7(8)4-6;1-8-4-5-2-6(8)3-7-5/h6-7H,2-5H2,1H3;5-7H,2-4H2,1H3.
What are the key properties of 2-methyl-2-azabicyclo[2.2.1]heptane;2-methyl-2,5-diazabicyclo[2.2.1]heptane?
2-methyl-2-azabicyclo[2.2.1]heptane;2-methyl-2,5-diazabicyclo[2.2.1]heptane has a molecular weight of 223.36 g/mol, XLogP of 0.76, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-azabicyclo[2.2.1]heptane;2-methyl-2,5-diazabicyclo[2.2.1]heptane is sourced from PubChem (CID 144525170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).