2-methyl-3-(methylamino)-1-[2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]propan-1-one

C14H27N3O2 — CID 119860015

IUPAC2-methyl-3-(methylamino)-1-[2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]propan-1-one
SMILESCNCC(C)C(=O)N1CCCC1CN1CCOCC1
InChIInChI=1S/C14H27N3O2/c1-12(10-15-2)14(18)17-5-3-4-13(17)11-16-6-8-19-9-7-16/h12-13,15H,3-11H2,1-2H3
InChIKeyCIWWKWLWDAOOQT-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.17
Rot. Bonds5

About 2-methyl-3-(methylamino)-1-[2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]propan-1-one

2-methyl-3-(methylamino)-1-[2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]propan-1-one (PubChem CID 119860015) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-1-[2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-1-[2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]propan-1-one
PubChem CID119860015
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name2-methyl-3-(methylamino)-1-[2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]propan-1-one
SMILESCNCC(C)C(=O)N1CCCC1CN1CCOCC1
InChIInChI=1S/C14H27N3O2/c1-12(10-15-2)14(18)17-5-3-4-13(17)11-16-6-8-19-9-7-16/h12-13,15H,3-11H2,1-2H3
InChIKeyCIWWKWLWDAOOQT-UHFFFAOYSA-N
XLogP0.17
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-(methylamino)-1-[2-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one;dihydrochloride
CID 119875378
1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methyl-3-(methylamino)propan-1-one
CID 107217986
3-amino-2-methyl-1-[2-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one;dihydrochloride
CID 120503674
(2R)-1-[(2R)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-thiophen-2-ylpropan-1-one
CID 96567260
2-methyl-1-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 58333477
1-(2-ethylazepan-1-yl)-2-methyl-3-(methylamino)propan-1-one;hydrochloride
CID 119793413
ethane;2-methyl-1-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 143767685
2-methyl-3-(methylamino)-1-[4-(oxan-4-ylmethyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119886551
3-amino-2-methyl-1-[2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one;dihydrochloride
CID 119860004
N-methyl-1-[2-methyl-3-(methylamino)propanoyl]pyrrolidine-2-carboxamide
CID 79202407
3-amino-1-[2-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one;dihydrochloride
CID 119875389
2-(morpholin-4-ylmethyl)piperidine-1-carbothioic S-acid
CID 91568400

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-1-[2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 2-methyl-3-(methylamino)-1-[2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]propan-1-one (CID 119860015) is 2-methyl-3-(methylamino)-1-[2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-3-(methylamino)-1-[2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-3-(methylamino)-1-[2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]propan-1-one is CNCC(C)C(=O)N1CCCC1CN1CCOCC1.
What is the InChIKey of 2-methyl-3-(methylamino)-1-[2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]propan-1-one?
The InChIKey is CIWWKWLWDAOOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-12(10-15-2)14(18)17-5-3-4-13(17)11-16-6-8-19-9-7-16/h12-13,15H,3-11H2,1-2H3.
What are the key properties of 2-methyl-3-(methylamino)-1-[2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]propan-1-one?
2-methyl-3-(methylamino)-1-[2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 269.39 g/mol, XLogP of 0.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylamino)-1-[2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 119860015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).