3-(2-ethylbutyl)-9-azabicyclo[3.3.1]nonan-3-ol

C14H27NO — CID 171952228

IUPAC3-(2-ethylbutyl)-9-azabicyclo[3.3.1]nonan-3-ol
SMILESCCC(CC)CC1(O)CC2CCCC(C1)N2
InChIInChI=1S/C14H27NO/c1-3-11(4-2)8-14(16)9-12-6-5-7-13(10-14)15-12/h11-13,15-16H,3-10H2,1-2H3
InChIKeyRYBPPTNZKUVZFO-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.85
Rot. Bonds4

About 3-(2-ethylbutyl)-9-azabicyclo[3.3.1]nonan-3-ol

3-(2-ethylbutyl)-9-azabicyclo[3.3.1]nonan-3-ol (PubChem CID 171952228) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 3-(2-ethylbutyl)-9-azabicyclo[3.3.1]nonan-3-ol.

Molecular Properties

Compound Name3-(2-ethylbutyl)-9-azabicyclo[3.3.1]nonan-3-ol
PubChem CID171952228
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name3-(2-ethylbutyl)-9-azabicyclo[3.3.1]nonan-3-ol
SMILESCCC(CC)CC1(O)CC2CCCC(C1)N2
InChIInChI=1S/C14H27NO/c1-3-11(4-2)8-14(16)9-12-6-5-7-13(10-14)15-12/h11-13,15-16H,3-10H2,1-2H3
InChIKeyRYBPPTNZKUVZFO-UHFFFAOYSA-N
XLogP2.85
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylbutyl)-9-azabicyclo[3.3.1]nonan-3-ol?
The IUPAC name of 3-(2-ethylbutyl)-9-azabicyclo[3.3.1]nonan-3-ol (CID 171952228) is 3-(2-ethylbutyl)-9-azabicyclo[3.3.1]nonan-3-ol.
What is the SMILES notation for 3-(2-ethylbutyl)-9-azabicyclo[3.3.1]nonan-3-ol?
The canonical SMILES for 3-(2-ethylbutyl)-9-azabicyclo[3.3.1]nonan-3-ol is CCC(CC)CC1(O)CC2CCCC(C1)N2.
What is the InChIKey of 3-(2-ethylbutyl)-9-azabicyclo[3.3.1]nonan-3-ol?
The InChIKey is RYBPPTNZKUVZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-3-11(4-2)8-14(16)9-12-6-5-7-13(10-14)15-12/h11-13,15-16H,3-10H2,1-2H3.
What are the key properties of 3-(2-ethylbutyl)-9-azabicyclo[3.3.1]nonan-3-ol?
3-(2-ethylbutyl)-9-azabicyclo[3.3.1]nonan-3-ol has a molecular weight of 225.38 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylbutyl)-9-azabicyclo[3.3.1]nonan-3-ol is sourced from PubChem (CID 171952228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).