2-tert-butyl-2-azabicyclo[3.2.2]nonane

C12H23N — CID 58465122

IUPAC2-tert-butyl-2-azabicyclo[3.2.2]nonane
SMILESCC(C)(C)N1CCC2CCC1CC2
InChIInChI=1S/C12H23N/c1-12(2,3)13-9-8-10-4-6-11(13)7-5-10/h10-11H,4-9H2,1-3H3
InChIKeyISIZKGZGNBNRMI-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.05
Rot. Bonds

About 2-tert-butyl-2-azabicyclo[3.2.2]nonane

2-tert-butyl-2-azabicyclo[3.2.2]nonane (PubChem CID 58465122) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 2-tert-butyl-2-azabicyclo[3.2.2]nonane.

Molecular Properties

Compound Name2-tert-butyl-2-azabicyclo[3.2.2]nonane
PubChem CID58465122
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name2-tert-butyl-2-azabicyclo[3.2.2]nonane
SMILESCC(C)(C)N1CCC2CCC1CC2
InChIInChI=1S/C12H23N/c1-12(2,3)13-9-8-10-4-6-11(13)7-5-10/h10-11H,4-9H2,1-3H3
InChIKeyISIZKGZGNBNRMI-UHFFFAOYSA-N
XLogP3.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-2-azabicyclo[3.2.2]nonane?
The IUPAC name of 2-tert-butyl-2-azabicyclo[3.2.2]nonane (CID 58465122) is 2-tert-butyl-2-azabicyclo[3.2.2]nonane.
What is the SMILES notation for 2-tert-butyl-2-azabicyclo[3.2.2]nonane?
The canonical SMILES for 2-tert-butyl-2-azabicyclo[3.2.2]nonane is CC(C)(C)N1CCC2CCC1CC2.
What is the InChIKey of 2-tert-butyl-2-azabicyclo[3.2.2]nonane?
The InChIKey is ISIZKGZGNBNRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-12(2,3)13-9-8-10-4-6-11(13)7-5-10/h10-11H,4-9H2,1-3H3.
What are the key properties of 2-tert-butyl-2-azabicyclo[3.2.2]nonane?
2-tert-butyl-2-azabicyclo[3.2.2]nonane has a molecular weight of 181.32 g/mol, XLogP of 3.05, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-2-azabicyclo[3.2.2]nonane is sourced from PubChem (CID 58465122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).