azetidin-3-ol;ethane;3-methylazetidin-3-ol

C9H22N2O2 — CID 145216921

IUPACazetidin-3-ol;ethane;3-methylazetidin-3-ol
SMILESCC.CC1(O)CNC1.OC1CNC1
InChIInChI=1S/C4H9NO.C3H7NO.C2H6/c1-4(6)2-5-3-4;5-3-1-4-2-3;1-2/h5-6H,2-3H2,1H3;3-5H,1-2H2;1-2H3
InChIKeyUHYUPBXLADFZAQ-UHFFFAOYSA-N
MW190.29 g/mol
LogP-0.68
Rot. Bonds

About azetidin-3-ol;ethane;3-methylazetidin-3-ol

azetidin-3-ol;ethane;3-methylazetidin-3-ol (PubChem CID 145216921) has the molecular formula C9H22N2O2 and a molecular weight of 190.29 g/mol. Its IUPAC name is azetidin-3-ol;ethane;3-methylazetidin-3-ol.

Molecular Properties

Compound Nameazetidin-3-ol;ethane;3-methylazetidin-3-ol
PubChem CID145216921
Molecular FormulaC9H22N2O2
Molecular Weight190.29 g/mol
Exact Mass190.17
IUPAC Nameazetidin-3-ol;ethane;3-methylazetidin-3-ol
SMILESCC.CC1(O)CNC1.OC1CNC1
InChIInChI=1S/C4H9NO.C3H7NO.C2H6/c1-4(6)2-5-3-4;5-3-1-4-2-3;1-2/h5-6H,2-3H2,1H3;3-5H,1-2H2;1-2H3
InChIKeyUHYUPBXLADFZAQ-UHFFFAOYSA-N
XLogP-0.68
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 5-0.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 175817344
1,5-diazocan-3-ol
CID 71359715
ethane;5-(hydroxymethyl)piperidin-3-ol
CID 143590323
(4S,5R)-piperidine-3,3,4,5-tetrol
CID 55287322
3,5-dimethylpiperidin-4-ol;ethane
CID 176666809
6-fluoro-6-methyl-3-azabicyclo[3.1.0]hexane
CID 130919289
ethane;2,2,6,6-tetramethylpiperazine
CID 178166936
3-azabicyclo[3.1.1]heptane;ethane
CID 144510440
(3S)-3-methylpiperidin-3-ol;hydrochloride
CID 138393705
(3S,4S)-5,5-dimethylpiperidine-3,4-diol
CID 11550031

Frequently Asked Questions

What is the IUPAC name of azetidin-3-ol;ethane;3-methylazetidin-3-ol?
The IUPAC name of azetidin-3-ol;ethane;3-methylazetidin-3-ol (CID 145216921) is azetidin-3-ol;ethane;3-methylazetidin-3-ol.
What is the SMILES notation for azetidin-3-ol;ethane;3-methylazetidin-3-ol?
The canonical SMILES for azetidin-3-ol;ethane;3-methylazetidin-3-ol is CC.CC1(O)CNC1.OC1CNC1.
What is the InChIKey of azetidin-3-ol;ethane;3-methylazetidin-3-ol?
The InChIKey is UHYUPBXLADFZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO.C3H7NO.C2H6/c1-4(6)2-5-3-4;5-3-1-4-2-3;1-2/h5-6H,2-3H2,1H3;3-5H,1-2H2;1-2H3.
What are the key properties of azetidin-3-ol;ethane;3-methylazetidin-3-ol?
azetidin-3-ol;ethane;3-methylazetidin-3-ol has a molecular weight of 190.29 g/mol, XLogP of -0.68, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-3-ol;ethane;3-methylazetidin-3-ol is sourced from PubChem (CID 145216921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).