1-(3-azabicyclo[3.3.1]nonan-3-yl)-3-methoxy-3-methylbutan-2-ol

C14H27NO2 — CID 114228775

IUPAC1-(3-azabicyclo[3.3.1]nonan-3-yl)-3-methoxy-3-methylbutan-2-ol
SMILESCOC(C)(C)C(O)CN1CC2CCCC(C2)C1
InChIInChI=1S/C14H27NO2/c1-14(2,17-3)13(16)10-15-8-11-5-4-6-12(7-11)9-15/h11-13,16H,4-10H2,1-3H3
InChIKeyLIDJHPWJAMJBIL-UHFFFAOYSA-N
MW241.37 g/mol
LogP1.89
Rot. Bonds4

About 1-(3-azabicyclo[3.3.1]nonan-3-yl)-3-methoxy-3-methylbutan-2-ol

1-(3-azabicyclo[3.3.1]nonan-3-yl)-3-methoxy-3-methylbutan-2-ol (PubChem CID 114228775) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 1-(3-azabicyclo[3.3.1]nonan-3-yl)-3-methoxy-3-methylbutan-2-ol.

Molecular Properties

Compound Name1-(3-azabicyclo[3.3.1]nonan-3-yl)-3-methoxy-3-methylbutan-2-ol
PubChem CID114228775
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name1-(3-azabicyclo[3.3.1]nonan-3-yl)-3-methoxy-3-methylbutan-2-ol
SMILESCOC(C)(C)C(O)CN1CC2CCCC(C2)C1
InChIInChI=1S/C14H27NO2/c1-14(2,17-3)13(16)10-15-8-11-5-4-6-12(7-11)9-15/h11-13,16H,4-10H2,1-3H3
InChIKeyLIDJHPWJAMJBIL-UHFFFAOYSA-N
XLogP1.89
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-azabicyclo[3.3.1]nonan-3-yl)-3-methoxy-3-methylbutan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-azabicyclo[3.3.1]nonan-3-yl)-3-methoxy-3-methylbutan-2-ol?
The IUPAC name of 1-(3-azabicyclo[3.3.1]nonan-3-yl)-3-methoxy-3-methylbutan-2-ol (CID 114228775) is 1-(3-azabicyclo[3.3.1]nonan-3-yl)-3-methoxy-3-methylbutan-2-ol.
What is the SMILES notation for 1-(3-azabicyclo[3.3.1]nonan-3-yl)-3-methoxy-3-methylbutan-2-ol?
The canonical SMILES for 1-(3-azabicyclo[3.3.1]nonan-3-yl)-3-methoxy-3-methylbutan-2-ol is COC(C)(C)C(O)CN1CC2CCCC(C2)C1.
What is the InChIKey of 1-(3-azabicyclo[3.3.1]nonan-3-yl)-3-methoxy-3-methylbutan-2-ol?
The InChIKey is LIDJHPWJAMJBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-14(2,17-3)13(16)10-15-8-11-5-4-6-12(7-11)9-15/h11-13,16H,4-10H2,1-3H3.
What are the key properties of 1-(3-azabicyclo[3.3.1]nonan-3-yl)-3-methoxy-3-methylbutan-2-ol?
1-(3-azabicyclo[3.3.1]nonan-3-yl)-3-methoxy-3-methylbutan-2-ol has a molecular weight of 241.37 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-azabicyclo[3.3.1]nonan-3-yl)-3-methoxy-3-methylbutan-2-ol is sourced from PubChem (CID 114228775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).