2-[3-(aminomethyl)oxan-3-yl]oxy-1-pyrrolidin-1-ylpropan-1-one

C13H24N2O3 — CID 65051407

IUPAC2-[3-(aminomethyl)oxan-3-yl]oxy-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(OC1(CN)CCCOC1)C(=O)N1CCCC1
InChIInChI=1S/C13H24N2O3/c1-11(12(16)15-6-2-3-7-15)18-13(9-14)5-4-8-17-10-13/h11H,2-10,14H2,1H3
InChIKeyAAMGIRBPJUGZLT-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.52
Rot. Bonds4

About 2-[3-(aminomethyl)oxan-3-yl]oxy-1-pyrrolidin-1-ylpropan-1-one

2-[3-(aminomethyl)oxan-3-yl]oxy-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 65051407) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[3-(aminomethyl)oxan-3-yl]oxy-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[3-(aminomethyl)oxan-3-yl]oxy-1-pyrrolidin-1-ylpropan-1-one
PubChem CID65051407
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-[3-(aminomethyl)oxan-3-yl]oxy-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(OC1(CN)CCCOC1)C(=O)N1CCCC1
InChIInChI=1S/C13H24N2O3/c1-11(12(16)15-6-2-3-7-15)18-13(9-14)5-4-8-17-10-13/h11H,2-10,14H2,1H3
InChIKeyAAMGIRBPJUGZLT-UHFFFAOYSA-N
XLogP0.52
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(aminomethyl)oxan-3-yl]oxy-1-piperidin-1-ylpropan-1-one
CID 65051935
2-[1-(aminomethyl)cyclohexyl]oxy-1-piperidin-1-ylpropan-1-one
CID 65050882
2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxy-1-pyrrolidin-1-ylpropan-1-one
CID 65052436
2-[1-(aminomethyl)-3-methylcyclohexyl]oxy-1-(azepan-1-yl)propan-1-one
CID 65052541
2-[1-(aminomethyl)-4-ethylcyclohexyl]oxy-1-piperidin-1-ylpropan-1-one
CID 65052797
2-[1-(aminomethyl)-4-propylcyclohexyl]oxy-1-pyrrolidin-1-ylpropan-1-one
CID 65052853
1-(azepan-1-yl)-2-[(3-methoxyoxolan-3-yl)methylamino]propan-1-one
CID 104704791
2-[3-(aminomethyl)oxan-3-yl]oxy-N-pentan-2-ylacetamide
CID 65051564
(6-propan-2-yloxy-1,4-dioxepan-6-yl)methanamine
CID 130559876
2-[(1-aminocyclopentyl)methoxy]-1-morpholin-4-ylpropan-1-one
CID 64574605
2-(1-amino-2-methylbutan-2-yl)oxy-1-(azepan-1-yl)propan-1-one
CID 65053236
2-[(1-aminocyclopentyl)methoxy]-1-(azepan-1-yl)propan-1-one
CID 64572244

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)oxan-3-yl]oxy-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-[3-(aminomethyl)oxan-3-yl]oxy-1-pyrrolidin-1-ylpropan-1-one (CID 65051407) is 2-[3-(aminomethyl)oxan-3-yl]oxy-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[3-(aminomethyl)oxan-3-yl]oxy-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-[3-(aminomethyl)oxan-3-yl]oxy-1-pyrrolidin-1-ylpropan-1-one is CC(OC1(CN)CCCOC1)C(=O)N1CCCC1.
What is the InChIKey of 2-[3-(aminomethyl)oxan-3-yl]oxy-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is AAMGIRBPJUGZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-11(12(16)15-6-2-3-7-15)18-13(9-14)5-4-8-17-10-13/h11H,2-10,14H2,1H3.
What are the key properties of 2-[3-(aminomethyl)oxan-3-yl]oxy-1-pyrrolidin-1-ylpropan-1-one?
2-[3-(aminomethyl)oxan-3-yl]oxy-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 256.35 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)oxan-3-yl]oxy-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 65051407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).