6-tert-butyl-2-azatricyclo[5.1.1.02,6]nonane

C12H21N — CID 176800872

IUPAC6-tert-butyl-2-azatricyclo[5.1.1.02,6]nonane
SMILESCC(C)(C)C12CCCN1C1CC2C1
InChIInChI=1S/C12H21N/c1-11(2,3)12-5-4-6-13(12)10-7-9(12)8-10/h9-10H,4-8H2,1-3H3
InChIKeyHPHPGJKOVPLVHY-UHFFFAOYSA-N
MW179.31 g/mol
LogP2.66
Rot. Bonds

About 6-tert-butyl-2-azatricyclo[5.1.1.02,6]nonane

6-tert-butyl-2-azatricyclo[5.1.1.02,6]nonane (PubChem CID 176800872) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 6-tert-butyl-2-azatricyclo[5.1.1.02,6]nonane.

Molecular Properties

Compound Name6-tert-butyl-2-azatricyclo[5.1.1.02,6]nonane
PubChem CID176800872
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name6-tert-butyl-2-azatricyclo[5.1.1.02,6]nonane
SMILESCC(C)(C)C12CCCN1C1CC2C1
InChIInChI=1S/C12H21N/c1-11(2,3)12-5-4-6-13(12)10-7-9(12)8-10/h9-10H,4-8H2,1-3H3
InChIKeyHPHPGJKOVPLVHY-UHFFFAOYSA-N
XLogP2.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-azatricyclo[5.1.1.02,6]nonane?
The IUPAC name of 6-tert-butyl-2-azatricyclo[5.1.1.02,6]nonane (CID 176800872) is 6-tert-butyl-2-azatricyclo[5.1.1.02,6]nonane.
What is the SMILES notation for 6-tert-butyl-2-azatricyclo[5.1.1.02,6]nonane?
The canonical SMILES for 6-tert-butyl-2-azatricyclo[5.1.1.02,6]nonane is CC(C)(C)C12CCCN1C1CC2C1.
What is the InChIKey of 6-tert-butyl-2-azatricyclo[5.1.1.02,6]nonane?
The InChIKey is HPHPGJKOVPLVHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-11(2,3)12-5-4-6-13(12)10-7-9(12)8-10/h9-10H,4-8H2,1-3H3.
What are the key properties of 6-tert-butyl-2-azatricyclo[5.1.1.02,6]nonane?
6-tert-butyl-2-azatricyclo[5.1.1.02,6]nonane has a molecular weight of 179.31 g/mol, XLogP of 2.66, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-azatricyclo[5.1.1.02,6]nonane is sourced from PubChem (CID 176800872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).