3-methyl-2-azabicyclo[2.2.1]heptane

C7H13N — CID 20805027

IUPAC3-methyl-2-azabicyclo[2.2.1]heptane
SMILESCC1NC2CCC1C2
InChIInChI=1S/C7H13N/c1-5-6-2-3-7(4-6)8-5/h5-8H,2-4H2,1H3
InChIKeyQMBZVWHMCQUVTP-UHFFFAOYSA-N
MW111.19 g/mol
LogP1.15
Rot. Bonds

About 3-methyl-2-azabicyclo[2.2.1]heptane

3-methyl-2-azabicyclo[2.2.1]heptane (PubChem CID 20805027) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is 3-methyl-2-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name3-methyl-2-azabicyclo[2.2.1]heptane
PubChem CID20805027
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name3-methyl-2-azabicyclo[2.2.1]heptane
SMILESCC1NC2CCC1C2
InChIInChI=1S/C7H13N/c1-5-6-2-3-7(4-6)8-5/h5-8H,2-4H2,1H3
InChIKeyQMBZVWHMCQUVTP-UHFFFAOYSA-N
XLogP1.15
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 ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-azabicyclo[2.2.1]heptane?
The IUPAC name of 3-methyl-2-azabicyclo[2.2.1]heptane (CID 20805027) is 3-methyl-2-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 3-methyl-2-azabicyclo[2.2.1]heptane?
The canonical SMILES for 3-methyl-2-azabicyclo[2.2.1]heptane is CC1NC2CCC1C2.
What is the InChIKey of 3-methyl-2-azabicyclo[2.2.1]heptane?
The InChIKey is QMBZVWHMCQUVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N/c1-5-6-2-3-7(4-6)8-5/h5-8H,2-4H2,1H3.
What are the key properties of 3-methyl-2-azabicyclo[2.2.1]heptane?
3-methyl-2-azabicyclo[2.2.1]heptane has a molecular weight of 111.19 g/mol, XLogP of 1.15, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 20805027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).