3-(oxolan-2-ylmethyl)-3-propylazetidine

C11H21NO — CID 79451538

IUPAC3-(oxolan-2-ylmethyl)-3-propylazetidine
SMILESCCCC1(CC2CCCO2)CNC1
InChIInChI=1S/C11H21NO/c1-2-5-11(8-12-9-11)7-10-4-3-6-13-10/h10,12H,2-9H2,1H3
InChIKeyLORXKAPZJSULPQ-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.95
Rot. Bonds4

About 3-(oxolan-2-ylmethyl)-3-propylazetidine

3-(oxolan-2-ylmethyl)-3-propylazetidine (PubChem CID 79451538) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 3-(oxolan-2-ylmethyl)-3-propylazetidine.

Molecular Properties

Compound Name3-(oxolan-2-ylmethyl)-3-propylazetidine
PubChem CID79451538
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name3-(oxolan-2-ylmethyl)-3-propylazetidine
SMILESCCCC1(CC2CCCO2)CNC1
InChIInChI=1S/C11H21NO/c1-2-5-11(8-12-9-11)7-10-4-3-6-13-10/h10,12H,2-9H2,1H3
InChIKeyLORXKAPZJSULPQ-UHFFFAOYSA-N
XLogP1.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(oxolan-2-ylmethyl)-3-propan-2-ylazetidine
CID 79452576
2-(oxolan-2-yl)-N-[(4-propylpiperidin-4-yl)methyl]ethanamine
CID 63129724
N-[(3-ethylpyrrolidin-3-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 63142833
N-methyl-1-[1-(oxolan-2-ylmethyl)cyclopropyl]methanamine
CID 66025753
(2R)-2-ethyloxolane
CID 641529
2-[[1-(3-methylbutyl)cyclohexyl]methyl]oxolane
CID 174522535
[1-(oxolan-2-ylmethyl)cyclooctyl]methanamine
CID 80603057
[1-(oxolan-2-ylmethyl)cyclohexyl]methanol
CID 66024131
3-benzyl-3-[3-(oxolan-2-yl)propyl]azetidine
CID 79452012
2-tetradecyloxolane
CID 10683364
azane;2-ethyloxolane
CID 174465001
2-[2-(oxolan-2-yl)ethyl]-2-propylazepane
CID 79117021

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-2-ylmethyl)-3-propylazetidine?
The IUPAC name of 3-(oxolan-2-ylmethyl)-3-propylazetidine (CID 79451538) is 3-(oxolan-2-ylmethyl)-3-propylazetidine.
What is the SMILES notation for 3-(oxolan-2-ylmethyl)-3-propylazetidine?
The canonical SMILES for 3-(oxolan-2-ylmethyl)-3-propylazetidine is CCCC1(CC2CCCO2)CNC1.
What is the InChIKey of 3-(oxolan-2-ylmethyl)-3-propylazetidine?
The InChIKey is LORXKAPZJSULPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-2-5-11(8-12-9-11)7-10-4-3-6-13-10/h10,12H,2-9H2,1H3.
What are the key properties of 3-(oxolan-2-ylmethyl)-3-propylazetidine?
3-(oxolan-2-ylmethyl)-3-propylazetidine has a molecular weight of 183.29 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-2-ylmethyl)-3-propylazetidine is sourced from PubChem (CID 79451538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).