1-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-3-methoxypropan-2-ol

C13H26N2O2 — CID 63928215

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

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

1-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-3-methoxypropan-2-ol (PubChem CID 63928215) 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(ethyl)amino]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-3-methoxypropan-2-ol
PubChem CID63928215
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name1-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-3-methoxypropan-2-ol
SMILESCCN(CC(O)COC)C1CC2CCC(C1)N2
InChIInChI=1S/C13H26N2O2/c1-3-15(8-13(16)9-17-2)12-6-10-4-5-11(7-12)14-10/h10-14,16H,3-9H2,1-2H3
InChIKeyFFYXTJBAPVDODN-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

Analyze 1-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-3-methoxypropan-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-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-3-methoxypropan-2-ol?
The IUPAC name of 1-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-3-methoxypropan-2-ol (CID 63928215) is 1-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-3-methoxypropan-2-ol is CCN(CC(O)COC)C1CC2CCC(C1)N2.
What is the InChIKey of 1-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-3-methoxypropan-2-ol?
The InChIKey is FFYXTJBAPVDODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-3-15(8-13(16)9-17-2)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(ethyl)amino]-3-methoxypropan-2-ol?
1-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-3-methoxypropan-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(ethyl)amino]-3-methoxypropan-2-ol is sourced from PubChem (CID 63928215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).