1-(2-hydroxy-3-methylbutyl)-3-methylazetidin-3-ol

C9H19NO2 — CID 130495517

IUPAC1-(2-hydroxy-3-methylbutyl)-3-methylazetidin-3-ol
SMILESCC(C)C(O)CN1CC(C)(O)C1
InChIInChI=1S/C9H19NO2/c1-7(2)8(11)4-10-5-9(3,12)6-10/h7-8,11-12H,4-6H2,1-3H3
InChIKeyBDDUJCWFTWHZJE-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.07
Rot. Bonds3

About 1-(2-hydroxy-3-methylbutyl)-3-methylazetidin-3-ol

1-(2-hydroxy-3-methylbutyl)-3-methylazetidin-3-ol (PubChem CID 130495517) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 1-(2-hydroxy-3-methylbutyl)-3-methylazetidin-3-ol.

Molecular Properties

Compound Name1-(2-hydroxy-3-methylbutyl)-3-methylazetidin-3-ol
PubChem CID130495517
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name1-(2-hydroxy-3-methylbutyl)-3-methylazetidin-3-ol
SMILESCC(C)C(O)CN1CC(C)(O)C1
InChIInChI=1S/C9H19NO2/c1-7(2)8(11)4-10-5-9(3,12)6-10/h7-8,11-12H,4-6H2,1-3H3
InChIKeyBDDUJCWFTWHZJE-UHFFFAOYSA-N
XLogP0.07
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,3-difluoroazetidin-1-yl)-3-methylbutan-2-ol
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1-(3-methoxy-3-methylpiperidin-1-yl)-3-methylbutan-2-ol
CID 107394547
1-(2-hydroxypropyl)-4-methylpiperidin-4-ol
CID 81103491
1-[3-(hydroxymethyl)-3-(methoxymethyl)pyrrolidin-1-yl]-3-methylbutan-2-ol
CID 131964000
3-methyl-1-propan-2-ylazetidin-3-ol
CID 58334516
1-(3-fluoro-2-hydroxypropyl)-3-methylpyrrolidin-3-ol
CID 131140409
1-[(3aR,6aR)-3a-(hydroxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-3-methylbutan-2-ol
CID 126838413
4-bromo-N-[1-(3-hydroxy-3-methylazetidin-1-yl)-3-methylbutan-2-yl]-N-methylbenzamide
CID 67773096
1-amino-2-(3,3-dimethylazetidin-1-yl)ethanol
CID 167139069
cis-(1S,2R)-2-[(2R)-2-hydroxy-3-methylbutyl]-1-methylcyclopropan-1-ol
CID 130905140
1-(4-amino-2,2-dimethylpentan-3-yl)-3-methylazetidin-3-ol
CID 131042951
1-[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-3-methylbutan-2-ol
CID 114249464

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-3-methylbutyl)-3-methylazetidin-3-ol?
The IUPAC name of 1-(2-hydroxy-3-methylbutyl)-3-methylazetidin-3-ol (CID 130495517) is 1-(2-hydroxy-3-methylbutyl)-3-methylazetidin-3-ol.
What is the SMILES notation for 1-(2-hydroxy-3-methylbutyl)-3-methylazetidin-3-ol?
The canonical SMILES for 1-(2-hydroxy-3-methylbutyl)-3-methylazetidin-3-ol is CC(C)C(O)CN1CC(C)(O)C1.
What is the InChIKey of 1-(2-hydroxy-3-methylbutyl)-3-methylazetidin-3-ol?
The InChIKey is BDDUJCWFTWHZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-7(2)8(11)4-10-5-9(3,12)6-10/h7-8,11-12H,4-6H2,1-3H3.
What are the key properties of 1-(2-hydroxy-3-methylbutyl)-3-methylazetidin-3-ol?
1-(2-hydroxy-3-methylbutyl)-3-methylazetidin-3-ol has a molecular weight of 173.26 g/mol, XLogP of 0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-3-methylbutyl)-3-methylazetidin-3-ol is sourced from PubChem (CID 130495517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).