2,4,8-trimethyl-8-azabicyclo[3.2.1]oct-6-en-3-ol

C10H17NO — CID 21487025

IUPAC2,4,8-trimethyl-8-azabicyclo[3.2.1]oct-6-en-3-ol
SMILESCC1C(O)C(C)C2C=CC1N2C
InChIInChI=1S/C10H17NO/c1-6-8-4-5-9(11(8)3)7(2)10(6)12/h4-10,12H,1-3H3
InChIKeyRKTTTXIRMLLVCY-UHFFFAOYSA-N
MW167.25 g/mol
LogP0.87
Rot. Bonds

About 2,4,8-trimethyl-8-azabicyclo[3.2.1]oct-6-en-3-ol

2,4,8-trimethyl-8-azabicyclo[3.2.1]oct-6-en-3-ol (PubChem CID 21487025) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 2,4,8-trimethyl-8-azabicyclo[3.2.1]oct-6-en-3-ol.

Molecular Properties

Compound Name2,4,8-trimethyl-8-azabicyclo[3.2.1]oct-6-en-3-ol
PubChem CID21487025
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name2,4,8-trimethyl-8-azabicyclo[3.2.1]oct-6-en-3-ol
SMILESCC1C(O)C(C)C2C=CC1N2C
InChIInChI=1S/C10H17NO/c1-6-8-4-5-9(11(8)3)7(2)10(6)12/h4-10,12H,1-3H3
InChIKeyRKTTTXIRMLLVCY-UHFFFAOYSA-N
XLogP0.87
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4,8-trimethyl-8-azabicyclo[3.2.1]oct-6-en-3-ol?
The IUPAC name of 2,4,8-trimethyl-8-azabicyclo[3.2.1]oct-6-en-3-ol (CID 21487025) is 2,4,8-trimethyl-8-azabicyclo[3.2.1]oct-6-en-3-ol.
What is the SMILES notation for 2,4,8-trimethyl-8-azabicyclo[3.2.1]oct-6-en-3-ol?
The canonical SMILES for 2,4,8-trimethyl-8-azabicyclo[3.2.1]oct-6-en-3-ol is CC1C(O)C(C)C2C=CC1N2C.
What is the InChIKey of 2,4,8-trimethyl-8-azabicyclo[3.2.1]oct-6-en-3-ol?
The InChIKey is RKTTTXIRMLLVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-6-8-4-5-9(11(8)3)7(2)10(6)12/h4-10,12H,1-3H3.
What are the key properties of 2,4,8-trimethyl-8-azabicyclo[3.2.1]oct-6-en-3-ol?
2,4,8-trimethyl-8-azabicyclo[3.2.1]oct-6-en-3-ol has a molecular weight of 167.25 g/mol, XLogP of 0.87, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,8-trimethyl-8-azabicyclo[3.2.1]oct-6-en-3-ol is sourced from PubChem (CID 21487025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).