2,5-dimethyl-1-azabicyclo[2.2.1]heptane

C8H15N — CID 544277

IUPAC2,5-dimethyl-1-azabicyclo[2.2.1]heptane
SMILESCC1CN2CC1CC2C
InChIInChI=1S/C8H15N/c1-6-4-9-5-8(6)3-7(9)2/h6-8H,3-5H2,1-2H3
InChIKeyTXJYBLQMWBOKGQ-UHFFFAOYSA-N
MW125.21 g/mol
LogP1.35
Rot. Bonds

About 2,5-dimethyl-1-azabicyclo[2.2.1]heptane

2,5-dimethyl-1-azabicyclo[2.2.1]heptane (PubChem CID 544277) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is 2,5-dimethyl-1-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2,5-dimethyl-1-azabicyclo[2.2.1]heptane
PubChem CID544277
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name2,5-dimethyl-1-azabicyclo[2.2.1]heptane
SMILESCC1CN2CC1CC2C
InChIInChI=1S/C8H15N/c1-6-4-9-5-8(6)3-7(9)2/h6-8H,3-5H2,1-2H3
InChIKeyTXJYBLQMWBOKGQ-UHFFFAOYSA-N
XLogP1.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-azabicyclo[2.2.1]heptane?
The IUPAC name of 2,5-dimethyl-1-azabicyclo[2.2.1]heptane (CID 544277) is 2,5-dimethyl-1-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 2,5-dimethyl-1-azabicyclo[2.2.1]heptane?
The canonical SMILES for 2,5-dimethyl-1-azabicyclo[2.2.1]heptane is CC1CN2CC1CC2C.
What is the InChIKey of 2,5-dimethyl-1-azabicyclo[2.2.1]heptane?
The InChIKey is TXJYBLQMWBOKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-6-4-9-5-8(6)3-7(9)2/h6-8H,3-5H2,1-2H3.
What are the key properties of 2,5-dimethyl-1-azabicyclo[2.2.1]heptane?
2,5-dimethyl-1-azabicyclo[2.2.1]heptane has a molecular weight of 125.21 g/mol, XLogP of 1.35, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 544277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).