1,3,5-trimethyl-2,3-diazabicyclo[3.3.1]nonan-9-ol

C10H20N2O — CID 67394862

IUPAC1,3,5-trimethyl-2,3-diazabicyclo[3.3.1]nonan-9-ol
SMILESCN1CC2(C)CCCC(C)(N1)C2O
InChIInChI=1S/C10H20N2O/c1-9-5-4-6-10(2,8(9)13)11-12(3)7-9/h8,11,13H,4-7H2,1-3H3
InChIKeyUFYJIWWBQJBTKY-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.75
Rot. Bonds

About 1,3,5-trimethyl-2,3-diazabicyclo[3.3.1]nonan-9-ol

1,3,5-trimethyl-2,3-diazabicyclo[3.3.1]nonan-9-ol (PubChem CID 67394862) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 1,3,5-trimethyl-2,3-diazabicyclo[3.3.1]nonan-9-ol.

Molecular Properties

Compound Name1,3,5-trimethyl-2,3-diazabicyclo[3.3.1]nonan-9-ol
PubChem CID67394862
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name1,3,5-trimethyl-2,3-diazabicyclo[3.3.1]nonan-9-ol
SMILESCN1CC2(C)CCCC(C)(N1)C2O
InChIInChI=1S/C10H20N2O/c1-9-5-4-6-10(2,8(9)13)11-12(3)7-9/h8,11,13H,4-7H2,1-3H3
InChIKeyUFYJIWWBQJBTKY-UHFFFAOYSA-N
XLogP0.75
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-2,3-diazabicyclo[3.3.1]nonan-9-ol?
The IUPAC name of 1,3,5-trimethyl-2,3-diazabicyclo[3.3.1]nonan-9-ol (CID 67394862) is 1,3,5-trimethyl-2,3-diazabicyclo[3.3.1]nonan-9-ol.
What is the SMILES notation for 1,3,5-trimethyl-2,3-diazabicyclo[3.3.1]nonan-9-ol?
The canonical SMILES for 1,3,5-trimethyl-2,3-diazabicyclo[3.3.1]nonan-9-ol is CN1CC2(C)CCCC(C)(N1)C2O.
What is the InChIKey of 1,3,5-trimethyl-2,3-diazabicyclo[3.3.1]nonan-9-ol?
The InChIKey is UFYJIWWBQJBTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-9-5-4-6-10(2,8(9)13)11-12(3)7-9/h8,11,13H,4-7H2,1-3H3.
What are the key properties of 1,3,5-trimethyl-2,3-diazabicyclo[3.3.1]nonan-9-ol?
1,3,5-trimethyl-2,3-diazabicyclo[3.3.1]nonan-9-ol has a molecular weight of 184.28 g/mol, XLogP of 0.75, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-2,3-diazabicyclo[3.3.1]nonan-9-ol is sourced from PubChem (CID 67394862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).