7-methyl-1-azabicyclo[2.2.1]heptane

C7H13N — CID 20568198

IUPAC7-methyl-1-azabicyclo[2.2.1]heptane
SMILESCC1C2CCN1CC2
InChIInChI=1S/C7H13N/c1-6-7-2-4-8(6)5-3-7/h6-7H,2-5H2,1H3
InChIKeyNOFYMULKSNEAHB-UHFFFAOYSA-N
MW111.19 g/mol
LogP1.10
Rot. Bonds

About 7-methyl-1-azabicyclo[2.2.1]heptane

7-methyl-1-azabicyclo[2.2.1]heptane (PubChem CID 20568198) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is 7-methyl-1-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name7-methyl-1-azabicyclo[2.2.1]heptane
PubChem CID20568198
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name7-methyl-1-azabicyclo[2.2.1]heptane
SMILESCC1C2CCN1CC2
InChIInChI=1S/C7H13N/c1-6-7-2-4-8(6)5-3-7/h6-7H,2-5H2,1H3
InChIKeyNOFYMULKSNEAHB-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

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-1-azabicyclo[2.2.1]heptane?
The IUPAC name of 7-methyl-1-azabicyclo[2.2.1]heptane (CID 20568198) is 7-methyl-1-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 7-methyl-1-azabicyclo[2.2.1]heptane?
The canonical SMILES for 7-methyl-1-azabicyclo[2.2.1]heptane is CC1C2CCN1CC2.
What is the InChIKey of 7-methyl-1-azabicyclo[2.2.1]heptane?
The InChIKey is NOFYMULKSNEAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N/c1-6-7-2-4-8(6)5-3-7/h6-7H,2-5H2,1H3.
What are the key properties of 7-methyl-1-azabicyclo[2.2.1]heptane?
7-methyl-1-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 7-methyl-1-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 20568198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).