2,5-dimethyl-7-azabicyclo[2.2.1]heptane

C8H15N — CID 73193817

IUPAC2,5-dimethyl-7-azabicyclo[2.2.1]heptane
SMILESCC1CC2NC1CC2C
InChIInChI=1S/C8H15N/c1-5-3-8-6(2)4-7(5)9-8/h5-9H,3-4H2,1-2H3
InChIKeyGOKIXDSKOABORI-UHFFFAOYSA-N
MW125.22 g/mol
LogP1.39
Rot. Bonds

About 2,5-dimethyl-7-azabicyclo[2.2.1]heptane

2,5-dimethyl-7-azabicyclo[2.2.1]heptane (PubChem CID 73193817) has the molecular formula C8H15N and a molecular weight of 125.22 g/mol. Its IUPAC name is 2,5-dimethyl-7-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2,5-dimethyl-7-azabicyclo[2.2.1]heptane
PubChem CID73193817
Molecular FormulaC8H15N
Molecular Weight125.22 g/mol
Exact Mass125.12
IUPAC Name2,5-dimethyl-7-azabicyclo[2.2.1]heptane
SMILESCC1CC2NC1CC2C
InChIInChI=1S/C8H15N/c1-5-3-8-6(2)4-7(5)9-8/h5-9H,3-4H2,1-2H3
InChIKeyGOKIXDSKOABORI-UHFFFAOYSA-N
XLogP1.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.22
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-7-azabicyclo[2.2.1]heptane?
The IUPAC name of 2,5-dimethyl-7-azabicyclo[2.2.1]heptane (CID 73193817) is 2,5-dimethyl-7-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 2,5-dimethyl-7-azabicyclo[2.2.1]heptane?
The canonical SMILES for 2,5-dimethyl-7-azabicyclo[2.2.1]heptane is CC1CC2NC1CC2C.
What is the InChIKey of 2,5-dimethyl-7-azabicyclo[2.2.1]heptane?
The InChIKey is GOKIXDSKOABORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-5-3-8-6(2)4-7(5)9-8/h5-9H,3-4H2,1-2H3.
What are the key properties of 2,5-dimethyl-7-azabicyclo[2.2.1]heptane?
2,5-dimethyl-7-azabicyclo[2.2.1]heptane has a molecular weight of 125.22 g/mol, XLogP of 1.39, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-7-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 73193817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).