2-[3-(aminomethyl)pyrrolidin-1-yl]-1-(2-methylmorpholin-4-yl)ethanone

C12H23N3O2 — CID 62062880

IUPAC2-[3-(aminomethyl)pyrrolidin-1-yl]-1-(2-methylmorpholin-4-yl)ethanone
SMILESCC1CN(C(=O)CN2CCC(CN)C2)CCO1
InChIInChI=1S/C12H23N3O2/c1-10-7-15(4-5-17-10)12(16)9-14-3-2-11(6-13)8-14/h10-11H,2-9,13H2,1H3
InChIKeyUZXIVLCVQWHLHA-UHFFFAOYSA-N
MW241.33 g/mol
LogP-0.49
Rot. Bonds3

About 2-[3-(aminomethyl)pyrrolidin-1-yl]-1-(2-methylmorpholin-4-yl)ethanone

2-[3-(aminomethyl)pyrrolidin-1-yl]-1-(2-methylmorpholin-4-yl)ethanone (PubChem CID 62062880) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-[3-(aminomethyl)pyrrolidin-1-yl]-1-(2-methylmorpholin-4-yl)ethanone.

Molecular Properties

Compound Name2-[3-(aminomethyl)pyrrolidin-1-yl]-1-(2-methylmorpholin-4-yl)ethanone
PubChem CID62062880
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name2-[3-(aminomethyl)pyrrolidin-1-yl]-1-(2-methylmorpholin-4-yl)ethanone
SMILESCC1CN(C(=O)CN2CCC(CN)C2)CCO1
InChIInChI=1S/C12H23N3O2/c1-10-7-15(4-5-17-10)12(16)9-14-3-2-11(6-13)8-14/h10-11H,2-9,13H2,1H3
InChIKeyUZXIVLCVQWHLHA-UHFFFAOYSA-N
XLogP-0.49
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-hydroxy-3-methylpiperidin-1-yl)-1-(2-methylmorpholin-4-yl)ethanone
CID 114681420
1-(4-acetylpiperazin-1-yl)-2-[3-(aminomethyl)pyrrolidin-1-yl]ethanone
CID 62063064
2-(azepan-1-yl)-1-[(2S)-2-methylmorpholin-4-yl]ethanone
CID 94823036
2-(azepan-1-yl)-1-(2-methylmorpholin-4-yl)ethanone
CID 51074710
2-(3-amino-4-methylpyrrolidin-1-yl)-1-(2-methylmorpholin-4-yl)ethanone
CID 103576869
1-[2-(2-methylmorpholin-4-yl)acetyl]piperidine-3-carboxamide
CID 134055223
1-[(2R)-2-methylmorpholin-4-yl]-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 94571896
2-[(2R,5S)-2,5-dimethylmorpholin-4-yl]-1-[(2R)-2-methylmorpholin-4-yl]ethanone
CID 98689719
2-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-1-(2-methylmorpholin-4-yl)ethanone
CID 102682988
3-ethyl-1-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]piperidine-3-carboxylic acid
CID 63137530
2-(4-aminopiperidin-1-yl)-1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 43556595
1-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 18131445

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)pyrrolidin-1-yl]-1-(2-methylmorpholin-4-yl)ethanone?
The IUPAC name of 2-[3-(aminomethyl)pyrrolidin-1-yl]-1-(2-methylmorpholin-4-yl)ethanone (CID 62062880) is 2-[3-(aminomethyl)pyrrolidin-1-yl]-1-(2-methylmorpholin-4-yl)ethanone.
What is the SMILES notation for 2-[3-(aminomethyl)pyrrolidin-1-yl]-1-(2-methylmorpholin-4-yl)ethanone?
The canonical SMILES for 2-[3-(aminomethyl)pyrrolidin-1-yl]-1-(2-methylmorpholin-4-yl)ethanone is CC1CN(C(=O)CN2CCC(CN)C2)CCO1.
What is the InChIKey of 2-[3-(aminomethyl)pyrrolidin-1-yl]-1-(2-methylmorpholin-4-yl)ethanone?
The InChIKey is UZXIVLCVQWHLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-10-7-15(4-5-17-10)12(16)9-14-3-2-11(6-13)8-14/h10-11H,2-9,13H2,1H3.
What are the key properties of 2-[3-(aminomethyl)pyrrolidin-1-yl]-1-(2-methylmorpholin-4-yl)ethanone?
2-[3-(aminomethyl)pyrrolidin-1-yl]-1-(2-methylmorpholin-4-yl)ethanone has a molecular weight of 241.33 g/mol, XLogP of -0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)pyrrolidin-1-yl]-1-(2-methylmorpholin-4-yl)ethanone is sourced from PubChem (CID 62062880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).