3-ethyl-1-(3-methylazetidin-1-yl)pentan-2-ol

C11H23NO — CID 106288664

IUPAC3-ethyl-1-(3-methylazetidin-1-yl)pentan-2-ol
SMILESCCC(CC)C(O)CN1CC(C)C1
InChIInChI=1S/C11H23NO/c1-4-10(5-2)11(13)8-12-6-9(3)7-12/h9-11,13H,4-8H2,1-3H3
InChIKeyDUHABEOYUDLQCW-UHFFFAOYSA-N
MW185.31 g/mol
LogP1.74
Rot. Bonds5

About 3-ethyl-1-(3-methylazetidin-1-yl)pentan-2-ol

3-ethyl-1-(3-methylazetidin-1-yl)pentan-2-ol (PubChem CID 106288664) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 3-ethyl-1-(3-methylazetidin-1-yl)pentan-2-ol.

Molecular Properties

Compound Name3-ethyl-1-(3-methylazetidin-1-yl)pentan-2-ol
PubChem CID106288664
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name3-ethyl-1-(3-methylazetidin-1-yl)pentan-2-ol
SMILESCCC(CC)C(O)CN1CC(C)C1
InChIInChI=1S/C11H23NO/c1-4-10(5-2)11(13)8-12-6-9(3)7-12/h9-11,13H,4-8H2,1-3H3
InChIKeyDUHABEOYUDLQCW-UHFFFAOYSA-N
XLogP1.74
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-methylazetidin-1-yl)propane-1,2-diol
CID 104550367
1-(2,5-dihydropyrrol-1-yl)-3-ethylpentan-2-ol
CID 106288750
1-(3-ethyl-2-hydroxypentyl)-4-methylpiperidine-2,6-dione
CID 106288772
1-(2-ethylpentyl)-3-methylazetidine
CID 170275965
3,3-dimethyl-1-(3-methylazetidin-1-yl)butan-2-ol
CID 130679235
2-hydroxy-3-(3-methylazetidin-1-yl)propanamide
CID 106172308
4-ethylhexane-1,3-diol
CID 57229845
5-methyl-1-(2-methylpropyl)piperidin-3-ol
CID 128552520
3-(3-methylpyrrolidin-1-yl)propane-1,2-diol
CID 23396961
ethane;4-ethylhexan-3-ol
CID 142939598
3,5-dimethyl-1-(2-methylpropyl)piperidine
CID 20562086
4-(3-methylazetidin-1-yl)butan-1-ol
CID 106844124

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(3-methylazetidin-1-yl)pentan-2-ol?
The IUPAC name of 3-ethyl-1-(3-methylazetidin-1-yl)pentan-2-ol (CID 106288664) is 3-ethyl-1-(3-methylazetidin-1-yl)pentan-2-ol.
What is the SMILES notation for 3-ethyl-1-(3-methylazetidin-1-yl)pentan-2-ol?
The canonical SMILES for 3-ethyl-1-(3-methylazetidin-1-yl)pentan-2-ol is CCC(CC)C(O)CN1CC(C)C1.
What is the InChIKey of 3-ethyl-1-(3-methylazetidin-1-yl)pentan-2-ol?
The InChIKey is DUHABEOYUDLQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-4-10(5-2)11(13)8-12-6-9(3)7-12/h9-11,13H,4-8H2,1-3H3.
What are the key properties of 3-ethyl-1-(3-methylazetidin-1-yl)pentan-2-ol?
3-ethyl-1-(3-methylazetidin-1-yl)pentan-2-ol has a molecular weight of 185.31 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(3-methylazetidin-1-yl)pentan-2-ol is sourced from PubChem (CID 106288664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).