2-[(1,4-dimethylpyrrolidin-3-yl)-methylamino]acetamide

C9H19N3O — CID 130678472

IUPAC2-[(1,4-dimethylpyrrolidin-3-yl)-methylamino]acetamide
SMILESCC1CN(C)CC1N(C)CC(N)=O
InChIInChI=1S/C9H19N3O/c1-7-4-11(2)5-8(7)12(3)6-9(10)13/h7-8H,4-6H2,1-3H3,(H2,10,13)
InChIKeyXPDGYINRGKMXMO-UHFFFAOYSA-N
MW185.27 g/mol
LogP-0.65
Rot. Bonds3

About 2-[(1,4-dimethylpyrrolidin-3-yl)-methylamino]acetamide

2-[(1,4-dimethylpyrrolidin-3-yl)-methylamino]acetamide (PubChem CID 130678472) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-[(1,4-dimethylpyrrolidin-3-yl)-methylamino]acetamide.

Molecular Properties

Compound Name2-[(1,4-dimethylpyrrolidin-3-yl)-methylamino]acetamide
PubChem CID130678472
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name2-[(1,4-dimethylpyrrolidin-3-yl)-methylamino]acetamide
SMILESCC1CN(C)CC1N(C)CC(N)=O
InChIInChI=1S/C9H19N3O/c1-7-4-11(2)5-8(7)12(3)6-9(10)13/h7-8H,4-6H2,1-3H3,(H2,10,13)
InChIKeyXPDGYINRGKMXMO-UHFFFAOYSA-N
XLogP-0.65
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-(4-methylpyrrolidin-3-yl)amino]acetamide
CID 81460239
2-[cyclohexyl(methyl)amino]acetamide
CID 22200523
2-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-methylamino]acetamide
CID 94061320
(3R,4R)-1,3,4-trimethylpyrrolidine
CID 58622802
1-cyano-N-(1,4-dimethylpyrrolidin-3-yl)-N-methylcyclobutane-1-carboxamide
CID 178052735
2-[(2-amino-2-oxoethyl)-(3,4-dimethylpyrrolidine-1-carbonyl)amino]acetic acid
CID 107438970
3-(dimethylamino)-N,4-dimethylpyrrolidine-1-carboxamide
CID 115690689
2-[(3-aminocyclohexyl)-methylamino]acetamide
CID 79467648
2-[(4,4-difluorocyclohexyl)-methylamino]acetamide
CID 126787710
2-amino-N-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]acetamide
CID 66565800
4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]butan-1-ol
CID 114287080
1-[3-[ethyl(methyl)amino]-4-methylpyrrolidin-1-yl]prop-2-en-1-one
CID 172577307

Frequently Asked Questions

What is the IUPAC name of 2-[(1,4-dimethylpyrrolidin-3-yl)-methylamino]acetamide?
The IUPAC name of 2-[(1,4-dimethylpyrrolidin-3-yl)-methylamino]acetamide (CID 130678472) is 2-[(1,4-dimethylpyrrolidin-3-yl)-methylamino]acetamide.
What is the SMILES notation for 2-[(1,4-dimethylpyrrolidin-3-yl)-methylamino]acetamide?
The canonical SMILES for 2-[(1,4-dimethylpyrrolidin-3-yl)-methylamino]acetamide is CC1CN(C)CC1N(C)CC(N)=O.
What is the InChIKey of 2-[(1,4-dimethylpyrrolidin-3-yl)-methylamino]acetamide?
The InChIKey is XPDGYINRGKMXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-7-4-11(2)5-8(7)12(3)6-9(10)13/h7-8H,4-6H2,1-3H3,(H2,10,13).
What are the key properties of 2-[(1,4-dimethylpyrrolidin-3-yl)-methylamino]acetamide?
2-[(1,4-dimethylpyrrolidin-3-yl)-methylamino]acetamide has a molecular weight of 185.27 g/mol, XLogP of -0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,4-dimethylpyrrolidin-3-yl)-methylamino]acetamide is sourced from PubChem (CID 130678472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).