3-[(3-propylazetidin-1-yl)methyl]morpholine

C11H22N2O — CID 103549583

IUPAC3-[(3-propylazetidin-1-yl)methyl]morpholine
SMILESCCCC1CN(CC2COCCN2)C1
InChIInChI=1S/C11H22N2O/c1-2-3-10-6-13(7-10)8-11-9-14-5-4-12-11/h10-12H,2-9H2,1H3
InChIKeyWBKBTROPJJZNBH-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.71
Rot. Bonds4

About 3-[(3-propylazetidin-1-yl)methyl]morpholine

3-[(3-propylazetidin-1-yl)methyl]morpholine (PubChem CID 103549583) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 3-[(3-propylazetidin-1-yl)methyl]morpholine.

Molecular Properties

Compound Name3-[(3-propylazetidin-1-yl)methyl]morpholine
PubChem CID103549583
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name3-[(3-propylazetidin-1-yl)methyl]morpholine
SMILESCCCC1CN(CC2COCCN2)C1
InChIInChI=1S/C11H22N2O/c1-2-3-10-6-13(7-10)8-11-9-14-5-4-12-11/h10-12H,2-9H2,1H3
InChIKeyWBKBTROPJJZNBH-UHFFFAOYSA-N
XLogP0.71
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(pyrrolidin-1-ylmethyl)morpholine;dihydrochloride
CID 18915160
3-(3,6-dihydro-2H-pyridin-1-ylmethyl)morpholine
CID 114410521
3-(ethylsulfonylmethyl)morpholine
CID 84720172
2-(1-methylpiperidin-3-yl)-N-(2-morpholin-3-ylethyl)ethanamine
CID 115239031
3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]morpholine
CID 106314919
N-ethyl-N-[[(3S)-morpholin-3-yl]methyl]ethanamine
CID 66723590
3-(2-cyclopentylethyl)morpholine
CID 116928258
3-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]morpholine
CID 104967658
3-[(2,5-dimethylpyrrol-1-yl)methyl]morpholine
CID 103549624
3-(bromomethyl)morpholine
CID 70577689
3-(2-methylpropyl)morpholine
CID 20811826
3-(2,3-dimethylhex-2-enyl)morpholine
CID 107889216

Frequently Asked Questions

What is the IUPAC name of 3-[(3-propylazetidin-1-yl)methyl]morpholine?
The IUPAC name of 3-[(3-propylazetidin-1-yl)methyl]morpholine (CID 103549583) is 3-[(3-propylazetidin-1-yl)methyl]morpholine.
What is the SMILES notation for 3-[(3-propylazetidin-1-yl)methyl]morpholine?
The canonical SMILES for 3-[(3-propylazetidin-1-yl)methyl]morpholine is CCCC1CN(CC2COCCN2)C1.
What is the InChIKey of 3-[(3-propylazetidin-1-yl)methyl]morpholine?
The InChIKey is WBKBTROPJJZNBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-2-3-10-6-13(7-10)8-11-9-14-5-4-12-11/h10-12H,2-9H2,1H3.
What are the key properties of 3-[(3-propylazetidin-1-yl)methyl]morpholine?
3-[(3-propylazetidin-1-yl)methyl]morpholine has a molecular weight of 198.31 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-propylazetidin-1-yl)methyl]morpholine is sourced from PubChem (CID 103549583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).