[2-(hydroxymethyl)-3-methoxypropyl]azanium

C5H14NO2+ — CID 163541121

IUPAC[2-(hydroxymethyl)-3-methoxypropyl]azanium
SMILESCOCC(C[NH3+])CO
InChIInChI=1S/C5H13NO2/c1-8-4-5(2-6)3-7/h5,7H,2-4,6H2,1H3/p+1
InChIKeyFBEAGGCMOIYUDI-UHFFFAOYSA-O
MW120.17 g/mol
LogP-1.52
Rot. Bonds4

About [2-(hydroxymethyl)-3-methoxypropyl]azanium

[2-(hydroxymethyl)-3-methoxypropyl]azanium (PubChem CID 163541121) has the molecular formula C5H14NO2+ and a molecular weight of 120.17 g/mol. Its IUPAC name is [2-(hydroxymethyl)-3-methoxypropyl]azanium.

Molecular Properties

Compound Name[2-(hydroxymethyl)-3-methoxypropyl]azanium
PubChem CID163541121
Molecular FormulaC5H14NO2+
Molecular Weight120.17 g/mol
Exact Mass120.10
IUPAC Name[2-(hydroxymethyl)-3-methoxypropyl]azanium
SMILESCOCC(C[NH3+])CO
InChIInChI=1S/C5H13NO2/c1-8-4-5(2-6)3-7/h5,7H,2-4,6H2,1H3/p+1
InChIKeyFBEAGGCMOIYUDI-UHFFFAOYSA-O
XLogP-1.52
TPSA57.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.17
LogP ≤ 5-1.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-amino-2-(methoxymethyl)hexan-1-ol;ethane
CID 142287237
2-ethyl-4-methoxybutan-1-ol
CID 66058779
1-methoxy-2-(methoxymethyl)butane
CID 23295181
1,3-dimethoxy-2-methylpropane;3-methoxy-2-methylpropan-1-ol
CID 157414663
3-methoxypropane-1,2-diol;dihydrochloride
CID 87908148
methane;2-methoxybutan-1-ol;2-(methoxymethyl)butan-1-ol;1-methoxypropane
CID 157097791
2-(aminomethyl)-4-methoxybutan-1-ol
CID 63216338
4-methoxy-2-(sulfanylmethyl)butan-1-ol
CID 117236943
2-ethyl-5-methoxypentan-1-ol
CID 66059836
(2R)-2-ethyl-5-methoxypentan-1-ol
CID 59157920
(2R,3R,4R,5R)-6-methoxyhexane-1,2,3,4,5-pentol
CID 18653298
(2R,5S)-6-methoxyhexane-1,2,5-triol
CID 130342864

Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)-3-methoxypropyl]azanium?
The IUPAC name of [2-(hydroxymethyl)-3-methoxypropyl]azanium (CID 163541121) is [2-(hydroxymethyl)-3-methoxypropyl]azanium.
What is the SMILES notation for [2-(hydroxymethyl)-3-methoxypropyl]azanium?
The canonical SMILES for [2-(hydroxymethyl)-3-methoxypropyl]azanium is COCC(C[NH3+])CO.
What is the InChIKey of [2-(hydroxymethyl)-3-methoxypropyl]azanium?
The InChIKey is FBEAGGCMOIYUDI-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H13NO2/c1-8-4-5(2-6)3-7/h5,7H,2-4,6H2,1H3/p+1.
What are the key properties of [2-(hydroxymethyl)-3-methoxypropyl]azanium?
[2-(hydroxymethyl)-3-methoxypropyl]azanium has a molecular weight of 120.17 g/mol, XLogP of -1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)-3-methoxypropyl]azanium is sourced from PubChem (CID 163541121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).