2-[2-hydroxyethyl-[3-(8-oxa-6-azabicyclo[3.2.1]octan-6-yl)propyl]amino]ethanol

C13H26N2O3 — CID 3056548

IUPAC2-[2-hydroxyethyl-[3-(8-oxa-6-azabicyclo[3.2.1]octan-6-yl)propyl]amino]ethanol
SMILESOCCN(CCO)CCCN1CC2CCCC1O2
InChIInChI=1S/C13H26N2O3/c16-9-7-14(8-10-17)5-2-6-15-11-12-3-1-4-13(15)18-12/h12-13,16-17H,1-11H2
InChIKeyFSBYQTNTIYRTQK-UHFFFAOYSA-N
MW258.36 g/mol
LogP-0.13
Rot. Bonds8

About 2-[2-hydroxyethyl-[3-(8-oxa-6-azabicyclo[3.2.1]octan-6-yl)propyl]amino]ethanol

2-[2-hydroxyethyl-[3-(8-oxa-6-azabicyclo[3.2.1]octan-6-yl)propyl]amino]ethanol (PubChem CID 3056548) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-[2-hydroxyethyl-[3-(8-oxa-6-azabicyclo[3.2.1]octan-6-yl)propyl]amino]ethanol.

Molecular Properties

Compound Name2-[2-hydroxyethyl-[3-(8-oxa-6-azabicyclo[3.2.1]octan-6-yl)propyl]amino]ethanol
PubChem CID3056548
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name2-[2-hydroxyethyl-[3-(8-oxa-6-azabicyclo[3.2.1]octan-6-yl)propyl]amino]ethanol
SMILESOCCN(CCO)CCCN1CC2CCCC1O2
InChIInChI=1S/C13H26N2O3/c16-9-7-14(8-10-17)5-2-6-15-11-12-3-1-4-13(15)18-12/h12-13,16-17H,1-11H2
InChIKeyFSBYQTNTIYRTQK-UHFFFAOYSA-N
XLogP-0.13
TPSA56.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[2-hydroxyethyl-[3-(8-oxa-6-azabicyclo[3.2.1]octan-6-yl)propyl]amino]ethanol with MolForge

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Related Compounds

8-Oxa-6-azabicyclo(3.2.1)octane, 6-(3-methoxypropyl)-
CID 97169
6-Butyl-8-oxa-6-azabicyclo(3.2.1)octane
CID 97170
8-Oxa-6-azabicyclo(3.2.1)octane, 6-(2-hydroxyethyl)-
CID 97171
8-Oxa-6-azabicyclo(3.2.1)octane, 6-(3-(2-ethoxyethoxy)propyl)-
CID 3056550
2-{8-Oxa-3-azabicyclo[3.2.1]octan-3-yl}ethan-1-ol hydrochloride
CID 137964486
6-(3-(4-Morpholinyl)propyl)-8-oxa-6-azabicyclo[3.2.1]octane
CID 265980
(1R,5R)-6-(3-morpholin-4-ylpropyl)-8-oxa-6-azabicyclo[3.2.1]octane
CID 3246372
2-{8-Oxa-3-azabicyclo[3.2.1]octan-3-yl}ethan-1-ol
CID 66370951
1-Fluoro-3-{8-oxa-3-azabicyclo[3.2.1]octan-3-yl}propan-2-ol
CID 127008570
N,N-dimethyl-3-(8-oxa-6-azabicyclo[3.2.1]octan-6-yl)propan-1-amine
CID 265979
(1R,5S)-6-(3-morpholin-4-ylpropyl)-8-oxa-6-azabicyclo[3.2.1]octane
CID 6713646
3-(8-Oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-ol
CID 57473477

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl-[3-(8-oxa-6-azabicyclo[3.2.1]octan-6-yl)propyl]amino]ethanol?
The IUPAC name of 2-[2-hydroxyethyl-[3-(8-oxa-6-azabicyclo[3.2.1]octan-6-yl)propyl]amino]ethanol (CID 3056548) is 2-[2-hydroxyethyl-[3-(8-oxa-6-azabicyclo[3.2.1]octan-6-yl)propyl]amino]ethanol.
What is the SMILES notation for 2-[2-hydroxyethyl-[3-(8-oxa-6-azabicyclo[3.2.1]octan-6-yl)propyl]amino]ethanol?
The canonical SMILES for 2-[2-hydroxyethyl-[3-(8-oxa-6-azabicyclo[3.2.1]octan-6-yl)propyl]amino]ethanol is OCCN(CCO)CCCN1CC2CCCC1O2.
What is the InChIKey of 2-[2-hydroxyethyl-[3-(8-oxa-6-azabicyclo[3.2.1]octan-6-yl)propyl]amino]ethanol?
The InChIKey is FSBYQTNTIYRTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c16-9-7-14(8-10-17)5-2-6-15-11-12-3-1-4-13(15)18-12/h12-13,16-17H,1-11H2.
What are the key properties of 2-[2-hydroxyethyl-[3-(8-oxa-6-azabicyclo[3.2.1]octan-6-yl)propyl]amino]ethanol?
2-[2-hydroxyethyl-[3-(8-oxa-6-azabicyclo[3.2.1]octan-6-yl)propyl]amino]ethanol has a molecular weight of 258.36 g/mol, XLogP of -0.13, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl-[3-(8-oxa-6-azabicyclo[3.2.1]octan-6-yl)propyl]amino]ethanol is sourced from PubChem (CID 3056548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).