3-(2-methylazetidin-1-yl)propan-1-ol

C7H15NO — CID 104549007

IUPAC3-(2-methylazetidin-1-yl)propan-1-ol
SMILESCC1CCN1CCCO
InChIInChI=1S/C7H15NO/c1-7-3-5-8(7)4-2-6-9/h7,9H,2-6H2,1H3
InChIKeyYIQGVAZGQLSJQQ-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.46
Rot. Bonds3

About 3-(2-methylazetidin-1-yl)propan-1-ol

3-(2-methylazetidin-1-yl)propan-1-ol (PubChem CID 104549007) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 3-(2-methylazetidin-1-yl)propan-1-ol.

Molecular Properties

Compound Name3-(2-methylazetidin-1-yl)propan-1-ol
PubChem CID104549007
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name3-(2-methylazetidin-1-yl)propan-1-ol
SMILESCC1CCN1CCCO
InChIInChI=1S/C7H15NO/c1-7-3-5-8(7)4-2-6-9/h7,9H,2-6H2,1H3
InChIKeyYIQGVAZGQLSJQQ-UHFFFAOYSA-N
XLogP0.46
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methylazetidin-1-yl)ethanamine
CID 79677018
3-(3-methyl-1-oxo-1,4-thiazinan-4-yl)propan-1-ol
CID 130775734
3-(3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl)propan-1-ol
CID 130620337
(3S)-4-(3-hydroxypropyl)-3-methylpiperazine-1-carboxylic acid
CID 68807533
4-(3-methylmorpholin-4-yl)butan-1-ol
CID 43542485
5-(3-methylmorpholin-4-yl)pentan-1-ol
CID 62228408
3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)propan-1-ol
CID 65319985
2-bromoethanol;2-(2-methylpyrrolidin-1-yl)ethanol
CID 159765495
3-(2,3-dimethylmorpholin-4-yl)propan-1-ol
CID 131152382
3-(2,5-dimethylmorpholin-4-yl)propan-1-ol
CID 43430768
1-butyl-2-methylpiperidin-4-ol
CID 119028950
1-butyl-2-methylpyrrolidine;hydrobromide
CID 174642317

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylazetidin-1-yl)propan-1-ol?
The IUPAC name of 3-(2-methylazetidin-1-yl)propan-1-ol (CID 104549007) is 3-(2-methylazetidin-1-yl)propan-1-ol.
What is the SMILES notation for 3-(2-methylazetidin-1-yl)propan-1-ol?
The canonical SMILES for 3-(2-methylazetidin-1-yl)propan-1-ol is CC1CCN1CCCO.
What is the InChIKey of 3-(2-methylazetidin-1-yl)propan-1-ol?
The InChIKey is YIQGVAZGQLSJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-7-3-5-8(7)4-2-6-9/h7,9H,2-6H2,1H3.
What are the key properties of 3-(2-methylazetidin-1-yl)propan-1-ol?
3-(2-methylazetidin-1-yl)propan-1-ol has a molecular weight of 129.20 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylazetidin-1-yl)propan-1-ol is sourced from PubChem (CID 104549007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).