(2,4-dimethyl-6-azabicyclo[3.2.1]oct-3-en-8-yl)methanol

C10H17NO — CID 23009504

IUPAC(2,4-dimethyl-6-azabicyclo[3.2.1]oct-3-en-8-yl)methanol
SMILESCC1=CC(C)C2CNC1C2CO
InChIInChI=1S/C10H17NO/c1-6-3-7(2)10-9(5-12)8(6)4-11-10/h3,6,8-12H,4-5H2,1-2H3
InChIKeyISBOYTPWBDXXSY-UHFFFAOYSA-N
MW167.25 g/mol
LogP0.78
Rot. Bonds1

About (2,4-dimethyl-6-azabicyclo[3.2.1]oct-3-en-8-yl)methanol

(2,4-dimethyl-6-azabicyclo[3.2.1]oct-3-en-8-yl)methanol (PubChem CID 23009504) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (2,4-dimethyl-6-azabicyclo[3.2.1]oct-3-en-8-yl)methanol.

Molecular Properties

Compound Name(2,4-dimethyl-6-azabicyclo[3.2.1]oct-3-en-8-yl)methanol
PubChem CID23009504
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(2,4-dimethyl-6-azabicyclo[3.2.1]oct-3-en-8-yl)methanol
SMILESCC1=CC(C)C2CNC1C2CO
InChIInChI=1S/C10H17NO/c1-6-3-7(2)10-9(5-12)8(6)4-11-10/h3,6,8-12H,4-5H2,1-2H3
InChIKeyISBOYTPWBDXXSY-UHFFFAOYSA-N
XLogP0.78
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 50.78
H-Bond Donors ≤ 52
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-dimethyl-6-azabicyclo[3.2.1]oct-3-en-8-yl)methanol?
The IUPAC name of (2,4-dimethyl-6-azabicyclo[3.2.1]oct-3-en-8-yl)methanol (CID 23009504) is (2,4-dimethyl-6-azabicyclo[3.2.1]oct-3-en-8-yl)methanol.
What is the SMILES notation for (2,4-dimethyl-6-azabicyclo[3.2.1]oct-3-en-8-yl)methanol?
The canonical SMILES for (2,4-dimethyl-6-azabicyclo[3.2.1]oct-3-en-8-yl)methanol is CC1=CC(C)C2CNC1C2CO.
What is the InChIKey of (2,4-dimethyl-6-azabicyclo[3.2.1]oct-3-en-8-yl)methanol?
The InChIKey is ISBOYTPWBDXXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-6-3-7(2)10-9(5-12)8(6)4-11-10/h3,6,8-12H,4-5H2,1-2H3.
What are the key properties of (2,4-dimethyl-6-azabicyclo[3.2.1]oct-3-en-8-yl)methanol?
(2,4-dimethyl-6-azabicyclo[3.2.1]oct-3-en-8-yl)methanol has a molecular weight of 167.25 g/mol, XLogP of 0.78, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethyl-6-azabicyclo[3.2.1]oct-3-en-8-yl)methanol is sourced from PubChem (CID 23009504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).