6-(diethylamino)-3-methyl-3-azabicyclo[3.3.1]nonan-9-ol

C13H26N2O — CID 21293377

IUPAC6-(diethylamino)-3-methyl-3-azabicyclo[3.3.1]nonan-9-ol
SMILESCCN(CC)C1CCC2CN(C)CC1C2O
InChIInChI=1S/C13H26N2O/c1-4-15(5-2)12-7-6-10-8-14(3)9-11(12)13(10)16/h10-13,16H,4-9H2,1-3H3
InChIKeyUZTZZXZSUQFKKR-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.03
Rot. Bonds3

About 6-(diethylamino)-3-methyl-3-azabicyclo[3.3.1]nonan-9-ol

6-(diethylamino)-3-methyl-3-azabicyclo[3.3.1]nonan-9-ol (PubChem CID 21293377) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 6-(diethylamino)-3-methyl-3-azabicyclo[3.3.1]nonan-9-ol.

Molecular Properties

Compound Name6-(diethylamino)-3-methyl-3-azabicyclo[3.3.1]nonan-9-ol
PubChem CID21293377
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name6-(diethylamino)-3-methyl-3-azabicyclo[3.3.1]nonan-9-ol
SMILESCCN(CC)C1CCC2CN(C)CC1C2O
InChIInChI=1S/C13H26N2O/c1-4-15(5-2)12-7-6-10-8-14(3)9-11(12)13(10)16/h10-13,16H,4-9H2,1-3H3
InChIKeyUZTZZXZSUQFKKR-UHFFFAOYSA-N
XLogP1.03
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(diethylamino)-3-methyl-3-azabicyclo[3.3.1]nonan-9-ol?
The IUPAC name of 6-(diethylamino)-3-methyl-3-azabicyclo[3.3.1]nonan-9-ol (CID 21293377) is 6-(diethylamino)-3-methyl-3-azabicyclo[3.3.1]nonan-9-ol.
What is the SMILES notation for 6-(diethylamino)-3-methyl-3-azabicyclo[3.3.1]nonan-9-ol?
The canonical SMILES for 6-(diethylamino)-3-methyl-3-azabicyclo[3.3.1]nonan-9-ol is CCN(CC)C1CCC2CN(C)CC1C2O.
What is the InChIKey of 6-(diethylamino)-3-methyl-3-azabicyclo[3.3.1]nonan-9-ol?
The InChIKey is UZTZZXZSUQFKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-4-15(5-2)12-7-6-10-8-14(3)9-11(12)13(10)16/h10-13,16H,4-9H2,1-3H3.
What are the key properties of 6-(diethylamino)-3-methyl-3-azabicyclo[3.3.1]nonan-9-ol?
6-(diethylamino)-3-methyl-3-azabicyclo[3.3.1]nonan-9-ol has a molecular weight of 226.36 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(diethylamino)-3-methyl-3-azabicyclo[3.3.1]nonan-9-ol is sourced from PubChem (CID 21293377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).