3-(oxolan-2-ylmethyl)-3-propan-2-ylazetidine

C11H21NO — CID 79452576

IUPAC3-(oxolan-2-ylmethyl)-3-propan-2-ylazetidine
SMILESCC(C)C1(CC2CCCO2)CNC1
InChIInChI=1S/C11H21NO/c1-9(2)11(7-12-8-11)6-10-4-3-5-13-10/h9-10,12H,3-8H2,1-2H3
InChIKeyPHDROZOAHBXJKK-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.80
Rot. Bonds3

About 3-(oxolan-2-ylmethyl)-3-propan-2-ylazetidine

3-(oxolan-2-ylmethyl)-3-propan-2-ylazetidine (PubChem CID 79452576) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 3-(oxolan-2-ylmethyl)-3-propan-2-ylazetidine.

Molecular Properties

Compound Name3-(oxolan-2-ylmethyl)-3-propan-2-ylazetidine
PubChem CID79452576
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name3-(oxolan-2-ylmethyl)-3-propan-2-ylazetidine
SMILESCC(C)C1(CC2CCCO2)CNC1
InChIInChI=1S/C11H21NO/c1-9(2)11(7-12-8-11)6-10-4-3-5-13-10/h9-10,12H,3-8H2,1-2H3
InChIKeyPHDROZOAHBXJKK-UHFFFAOYSA-N
XLogP1.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(oxolan-2-ylmethyl)-3-propylazetidine
CID 79451538
2-(oxolan-2-yl)-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine
CID 106981820
2-[[1-(3-methylbutyl)cyclohexyl]methyl]oxolane
CID 174522535
[(2S)-oxolan-2-yl]methyl-propan-2-ylazanium
CID 7015881
(2R)-1-(oxolan-2-yl)propan-2-amine
CID 104932128
3-(oxolan-2-yl)-1-(3-propan-2-ylpyrrolidin-3-yl)propan-1-one
CID 106982059
5-methyl-5-(oxolan-2-ylmethyl)-1,3-oxazolidin-2-one
CID 117158949
(2R)-2-ethyloxolane
CID 641529
2-[2-[1-(1-chloroethyl)cyclopropyl]ethyl]oxolane
CID 106798501
N-(oxolan-2-ylmethyl)-N-propan-2-ylpropan-2-amine
CID 22975536
N-(oxolan-2-ylmethyl)propan-2-amine;hydrochloride
CID 172772952
oxolan-2-ylmethyl 2-(3-methylazetidin-3-yl)oxyacetate
CID 102658397

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-2-ylmethyl)-3-propan-2-ylazetidine?
The IUPAC name of 3-(oxolan-2-ylmethyl)-3-propan-2-ylazetidine (CID 79452576) is 3-(oxolan-2-ylmethyl)-3-propan-2-ylazetidine.
What is the SMILES notation for 3-(oxolan-2-ylmethyl)-3-propan-2-ylazetidine?
The canonical SMILES for 3-(oxolan-2-ylmethyl)-3-propan-2-ylazetidine is CC(C)C1(CC2CCCO2)CNC1.
What is the InChIKey of 3-(oxolan-2-ylmethyl)-3-propan-2-ylazetidine?
The InChIKey is PHDROZOAHBXJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-9(2)11(7-12-8-11)6-10-4-3-5-13-10/h9-10,12H,3-8H2,1-2H3.
What are the key properties of 3-(oxolan-2-ylmethyl)-3-propan-2-ylazetidine?
3-(oxolan-2-ylmethyl)-3-propan-2-ylazetidine has a molecular weight of 183.29 g/mol, XLogP of 1.80, 3 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-propan-2-ylazetidine is sourced from PubChem (CID 79452576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).