2-tert-butyl-7-azabicyclo[2.2.1]heptane

C10H19N — CID 21352057

IUPAC2-tert-butyl-7-azabicyclo[2.2.1]heptane
SMILESCC(C)(C)C1CC2CCC1N2
InChIInChI=1S/C10H19N/c1-10(2,3)8-6-7-4-5-9(8)11-7/h7-9,11H,4-6H2,1-3H3
InChIKeyYAWRNBQQFXTNLY-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.17
Rot. Bonds

About 2-tert-butyl-7-azabicyclo[2.2.1]heptane

2-tert-butyl-7-azabicyclo[2.2.1]heptane (PubChem CID 21352057) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 2-tert-butyl-7-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-tert-butyl-7-azabicyclo[2.2.1]heptane
PubChem CID21352057
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name2-tert-butyl-7-azabicyclo[2.2.1]heptane
SMILESCC(C)(C)C1CC2CCC1N2
InChIInChI=1S/C10H19N/c1-10(2,3)8-6-7-4-5-9(8)11-7/h7-9,11H,4-6H2,1-3H3
InChIKeyYAWRNBQQFXTNLY-UHFFFAOYSA-N
XLogP2.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-tert-butyl-7-azabicyclo[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-tert-butyl-7-azabicyclo[2.2.1]heptane?
The IUPAC name of 2-tert-butyl-7-azabicyclo[2.2.1]heptane (CID 21352057) is 2-tert-butyl-7-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 2-tert-butyl-7-azabicyclo[2.2.1]heptane?
The canonical SMILES for 2-tert-butyl-7-azabicyclo[2.2.1]heptane is CC(C)(C)C1CC2CCC1N2.
What is the InChIKey of 2-tert-butyl-7-azabicyclo[2.2.1]heptane?
The InChIKey is YAWRNBQQFXTNLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-10(2,3)8-6-7-4-5-9(8)11-7/h7-9,11H,4-6H2,1-3H3.
What are the key properties of 2-tert-butyl-7-azabicyclo[2.2.1]heptane?
2-tert-butyl-7-azabicyclo[2.2.1]heptane has a molecular weight of 153.27 g/mol, XLogP of 2.17, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-7-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 21352057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).