2-(1-propylazetidin-3-yl)oxyethanol

C8H17NO2 — CID 168904280

IUPAC2-(1-propylazetidin-3-yl)oxyethanol
SMILESCCCN1CC(OCCO)C1
InChIInChI=1S/C8H17NO2/c1-2-3-9-6-8(7-9)11-5-4-10/h8,10H,2-7H2,1H3
InChIKeyVKANCDXVOZGHMS-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.09
Rot. Bonds5

About 2-(1-propylazetidin-3-yl)oxyethanol

2-(1-propylazetidin-3-yl)oxyethanol (PubChem CID 168904280) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 2-(1-propylazetidin-3-yl)oxyethanol.

Molecular Properties

Compound Name2-(1-propylazetidin-3-yl)oxyethanol
PubChem CID168904280
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name2-(1-propylazetidin-3-yl)oxyethanol
SMILESCCCN1CC(OCCO)C1
InChIInChI=1S/C8H17NO2/c1-2-3-9-6-8(7-9)11-5-4-10/h8,10H,2-7H2,1H3
InChIKeyVKANCDXVOZGHMS-UHFFFAOYSA-N
XLogP0.09
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Propanol, 1-butoxy-3-(diethylamino)-
CID 208770
Poly(oxy(methyl-1,2-ethanediyl)), alpha-(2-(diethylamino)ethyl)-omega-hydroxy-
CID 107106
2-(2-Dibutylamino-ethoxy)-ethanol
CID 174967
1-(Diethylamino)-3-methoxypropan-2-ol
CID 3726144
1-Methoxy-3-(morpholin-4-yl)propan-2-ol
CID 4645420
2-[2-(Dipropylamino)ethoxy]ethan-1-ol
CID 20788611
2-[3-(Propan-2-yloxy)azetidin-1-yl]ethan-1-ol
CID 68267284
2-[(1-Methylazetidin-3-yl)oxy]ethan-1-ol
CID 84049788
1-Methoxy-3-(2-methylmorpholin-4-yl)propan-2-ol
CID 63928985
Sbb056836
CID 3796382
1-(Diethylamino)-3-propoxypropan-2-ol
CID 3448301
1-(Dimethylamino)-3-propoxypropan-2-ol
CID 13147008

Frequently Asked Questions

What is the IUPAC name of 2-(1-propylazetidin-3-yl)oxyethanol?
The IUPAC name of 2-(1-propylazetidin-3-yl)oxyethanol (CID 168904280) is 2-(1-propylazetidin-3-yl)oxyethanol.
What is the SMILES notation for 2-(1-propylazetidin-3-yl)oxyethanol?
The canonical SMILES for 2-(1-propylazetidin-3-yl)oxyethanol is CCCN1CC(OCCO)C1.
What is the InChIKey of 2-(1-propylazetidin-3-yl)oxyethanol?
The InChIKey is VKANCDXVOZGHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-2-3-9-6-8(7-9)11-5-4-10/h8,10H,2-7H2,1H3.
What are the key properties of 2-(1-propylazetidin-3-yl)oxyethanol?
2-(1-propylazetidin-3-yl)oxyethanol has a molecular weight of 159.23 g/mol, XLogP of 0.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propylazetidin-3-yl)oxyethanol is sourced from PubChem (CID 168904280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).