2-hydroxy-3,7-dimethyl-2-azabicyclo[3.3.1]nonane

C10H19NO — CID 144503973

IUPAC2-hydroxy-3,7-dimethyl-2-azabicyclo[3.3.1]nonane
SMILESCC1CC2CC(C)N(O)C(C1)C2
InChIInChI=1S/C10H19NO/c1-7-3-9-5-8(2)11(12)10(4-7)6-9/h7-10,12H,3-6H2,1-2H3
InChIKeyNRTAKBLSAFAAKP-UHFFFAOYSA-N
MW169.27 g/mol
LogP2.27
Rot. Bonds

About 2-hydroxy-3,7-dimethyl-2-azabicyclo[3.3.1]nonane

2-hydroxy-3,7-dimethyl-2-azabicyclo[3.3.1]nonane (PubChem CID 144503973) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-hydroxy-3,7-dimethyl-2-azabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name2-hydroxy-3,7-dimethyl-2-azabicyclo[3.3.1]nonane
PubChem CID144503973
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2-hydroxy-3,7-dimethyl-2-azabicyclo[3.3.1]nonane
SMILESCC1CC2CC(C)N(O)C(C1)C2
InChIInChI=1S/C10H19NO/c1-7-3-9-5-8(2)11(12)10(4-7)6-9/h7-10,12H,3-6H2,1-2H3
InChIKeyNRTAKBLSAFAAKP-UHFFFAOYSA-N
XLogP2.27
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3,7-dimethyl-2-azabicyclo[3.3.1]nonane?
The IUPAC name of 2-hydroxy-3,7-dimethyl-2-azabicyclo[3.3.1]nonane (CID 144503973) is 2-hydroxy-3,7-dimethyl-2-azabicyclo[3.3.1]nonane.
What is the SMILES notation for 2-hydroxy-3,7-dimethyl-2-azabicyclo[3.3.1]nonane?
The canonical SMILES for 2-hydroxy-3,7-dimethyl-2-azabicyclo[3.3.1]nonane is CC1CC2CC(C)N(O)C(C1)C2.
What is the InChIKey of 2-hydroxy-3,7-dimethyl-2-azabicyclo[3.3.1]nonane?
The InChIKey is NRTAKBLSAFAAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-7-3-9-5-8(2)11(12)10(4-7)6-9/h7-10,12H,3-6H2,1-2H3.
What are the key properties of 2-hydroxy-3,7-dimethyl-2-azabicyclo[3.3.1]nonane?
2-hydroxy-3,7-dimethyl-2-azabicyclo[3.3.1]nonane has a molecular weight of 169.27 g/mol, XLogP of 2.27, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3,7-dimethyl-2-azabicyclo[3.3.1]nonane is sourced from PubChem (CID 144503973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).