1-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-3-ethoxypropan-2-ol

C13H26N2O2 — CID 63933610

IUPAC1-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-3-ethoxypropan-2-ol
SMILESCCOCC(O)CN(C)C1CC2CCC(C1)N2
InChIInChI=1S/C13H26N2O2/c1-3-17-9-13(16)8-15(2)12-6-10-4-5-11(7-12)14-10/h10-14,16H,3-9H2,1-2H3
InChIKeyCLLYOQQSWSSCOH-UHFFFAOYSA-N
MW242.36 g/mol
LogP0.60
Rot. Bonds6

About 1-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-3-ethoxypropan-2-ol

1-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-3-ethoxypropan-2-ol (PubChem CID 63933610) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 1-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-3-ethoxypropan-2-ol.

Molecular Properties

Compound Name1-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-3-ethoxypropan-2-ol
PubChem CID63933610
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name1-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-3-ethoxypropan-2-ol
SMILESCCOCC(O)CN(C)C1CC2CCC(C1)N2
InChIInChI=1S/C13H26N2O2/c1-3-17-9-13(16)8-15(2)12-6-10-4-5-11(7-12)14-10/h10-14,16H,3-9H2,1-2H3
InChIKeyCLLYOQQSWSSCOH-UHFFFAOYSA-N
XLogP0.60
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-3-ethoxypropan-2-ol?
The IUPAC name of 1-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-3-ethoxypropan-2-ol (CID 63933610) is 1-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-3-ethoxypropan-2-ol.
What is the SMILES notation for 1-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-3-ethoxypropan-2-ol?
The canonical SMILES for 1-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-3-ethoxypropan-2-ol is CCOCC(O)CN(C)C1CC2CCC(C1)N2.
What is the InChIKey of 1-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-3-ethoxypropan-2-ol?
The InChIKey is CLLYOQQSWSSCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-3-17-9-13(16)8-15(2)12-6-10-4-5-11(7-12)14-10/h10-14,16H,3-9H2,1-2H3.
What are the key properties of 1-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-3-ethoxypropan-2-ol?
1-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-3-ethoxypropan-2-ol has a molecular weight of 242.36 g/mol, XLogP of 0.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-3-ethoxypropan-2-ol is sourced from PubChem (CID 63933610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).