3-(5-propan-2-yloxy-3-pyridinyl)-8-azabicyclo[4.3.1]decane

C17H26N2O — CID 57486296

IUPAC3-(5-propan-2-yloxy-3-pyridinyl)-8-azabicyclo[4.3.1]decane
SMILESCC(C)Oc1cncc(C2CCC3CNCC(C3)C2)c1
InChIInChI=1S/C17H26N2O/c1-12(2)20-17-7-16(10-19-11-17)15-4-3-13-5-14(6-15)9-18-8-13/h7,10-15,18H,3-6,8-9H2,1-2H3
InChIKeyBOWZIRHQBFRPNV-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.36
Rot. Bonds3

About 3-(5-propan-2-yloxy-3-pyridinyl)-8-azabicyclo[4.3.1]decane

3-(5-propan-2-yloxy-3-pyridinyl)-8-azabicyclo[4.3.1]decane (PubChem CID 57486296) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 3-(5-propan-2-yloxy-3-pyridinyl)-8-azabicyclo[4.3.1]decane.

Molecular Properties

Compound Name3-(5-propan-2-yloxy-3-pyridinyl)-8-azabicyclo[4.3.1]decane
PubChem CID57486296
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name3-(5-propan-2-yloxy-3-pyridinyl)-8-azabicyclo[4.3.1]decane
SMILESCC(C)Oc1cncc(C2CCC3CNCC(C3)C2)c1
InChIInChI=1S/C17H26N2O/c1-12(2)20-17-7-16(10-19-11-17)15-4-3-13-5-14(6-15)9-18-8-13/h7,10-15,18H,3-6,8-9H2,1-2H3
InChIKeyBOWZIRHQBFRPNV-UHFFFAOYSA-N
XLogP3.36
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(5-propan-2-yloxy-3-pyridinyl)-8-azabicyclo[4.3.1]decane with MolForge

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

Launch Full Analysis

Related Compounds

4-(5-propan-2-yloxy-3-pyridinyl)cyclohexan-1-one
CID 83261333
6-(5-propan-2-yloxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene
CID 57486280
6-(5-propan-2-yloxy-3-pyridinyl)-3-azabicyclo[3.2.1]oct-6-ene;2,2,2-trifluoroacetic acid
CID 67271424
3-(1H-pyrrol-3-yl)-8-azabicyclo[4.3.1]decane
CID 57485671
2-(2-bicyclo[2.2.1]heptanyl)-1-(5-propan-2-yloxy-3-pyridinyl)ethanamine
CID 105027565
4-(5-methoxy-3-pyridinyl)azepane
CID 83261496
2-piperidin-4-yl-1-(5-propan-2-yloxy-3-pyridinyl)ethanone
CID 116559903
(5-propan-2-yloxy-3-pyridinyl)-pyrrolidin-2-ylmethanol
CID 106639944
3-(5-propan-2-yloxy-3-pyridinyl)-6-azabicyclo[3.2.1]oct-2-ene;dihydrochloride
CID 57485764
3-(azetidin-3-yl)-5-methylpyridine;hydrochloride
CID 154791506
3-methylsulfanyl-5-propan-2-yloxypyridine
CID 146035348
piperidin-2-yl-(5-propan-2-yloxy-3-pyridinyl)methanol
CID 106634630

Frequently Asked Questions

What is the IUPAC name of 3-(5-propan-2-yloxy-3-pyridinyl)-8-azabicyclo[4.3.1]decane?
The IUPAC name of 3-(5-propan-2-yloxy-3-pyridinyl)-8-azabicyclo[4.3.1]decane (CID 57486296) is 3-(5-propan-2-yloxy-3-pyridinyl)-8-azabicyclo[4.3.1]decane.
What is the SMILES notation for 3-(5-propan-2-yloxy-3-pyridinyl)-8-azabicyclo[4.3.1]decane?
The canonical SMILES for 3-(5-propan-2-yloxy-3-pyridinyl)-8-azabicyclo[4.3.1]decane is CC(C)Oc1cncc(C2CCC3CNCC(C3)C2)c1.
What is the InChIKey of 3-(5-propan-2-yloxy-3-pyridinyl)-8-azabicyclo[4.3.1]decane?
The InChIKey is BOWZIRHQBFRPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-12(2)20-17-7-16(10-19-11-17)15-4-3-13-5-14(6-15)9-18-8-13/h7,10-15,18H,3-6,8-9H2,1-2H3.
What are the key properties of 3-(5-propan-2-yloxy-3-pyridinyl)-8-azabicyclo[4.3.1]decane?
3-(5-propan-2-yloxy-3-pyridinyl)-8-azabicyclo[4.3.1]decane has a molecular weight of 274.41 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-propan-2-yloxy-3-pyridinyl)-8-azabicyclo[4.3.1]decane is sourced from PubChem (CID 57486296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).