1-[3-(dimethylamino)pyrrolidin-1-yl]-2-[methyl(methylamino)amino]ethanone

C10H22N4O — CID 177006682

IUPAC1-[3-(dimethylamino)pyrrolidin-1-yl]-2-[methyl(methylamino)amino]ethanone
SMILESCNN(C)CC(=O)N1CCC(N(C)C)C1
InChIInChI=1S/C10H22N4O/c1-11-13(4)8-10(15)14-6-5-9(7-14)12(2)3/h9,11H,5-8H2,1-4H3
InChIKeyBMGATSIXVNGKSJ-UHFFFAOYSA-N
MW214.31 g/mol
LogP-0.78
Rot. Bonds4

About 1-[3-(dimethylamino)pyrrolidin-1-yl]-2-[methyl(methylamino)amino]ethanone

1-[3-(dimethylamino)pyrrolidin-1-yl]-2-[methyl(methylamino)amino]ethanone (PubChem CID 177006682) has the molecular formula C10H22N4O and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-[3-(dimethylamino)pyrrolidin-1-yl]-2-[methyl(methylamino)amino]ethanone.

Molecular Properties

Compound Name1-[3-(dimethylamino)pyrrolidin-1-yl]-2-[methyl(methylamino)amino]ethanone
PubChem CID177006682
Molecular FormulaC10H22N4O
Molecular Weight214.31 g/mol
Exact Mass214.18
IUPAC Name1-[3-(dimethylamino)pyrrolidin-1-yl]-2-[methyl(methylamino)amino]ethanone
SMILESCNN(C)CC(=O)N1CCC(N(C)C)C1
InChIInChI=1S/C10H22N4O/c1-11-13(4)8-10(15)14-6-5-9(7-14)12(2)3/h9,11H,5-8H2,1-4H3
InChIKeyBMGATSIXVNGKSJ-UHFFFAOYSA-N
XLogP-0.78
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 5-0.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-bromo-1-[3-(dimethylamino)pyrrolidin-1-yl]ethanone
CID 55246948
3-amino-1-[3-(dimethylamino)pyrrolidin-1-yl]propan-1-one
CID 63164681
2-(tert-butylamino)-1-[3-(dimethylamino)pyrrolidin-1-yl]ethanone
CID 78925625
1-[4-(dimethylamino)piperidin-1-yl]-2-[[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-methylamino]ethanone
CID 144771309
1-[3-(dimethylamino)pyrrolidin-1-yl]-2-(2-methoxyethylamino)ethanone
CID 79281115
1-[3-(dimethylamino)piperidin-1-yl]-2-hydroxyethanone
CID 131155211
3-(dimethylamino)pyrrolidine-1-carbonyl chloride
CID 79886816
tris(1-[4-(dimethylamino)piperidin-1-yl]butane-1,3-dione);iron(3+)
CID 53467781
2-[4-(aminomethyl)cyclohexyl]-1-[3-(dimethylamino)pyrrolidin-1-yl]ethanone
CID 63611894
1-[3-(dimethylamino)pyrrolidin-1-yl]-2-piperazin-1-ylethanone
CID 55169216
2-bromo-1-[3-(dimethylamino)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 114328660
1-[3-(dimethylamino)pyrrolidin-1-yl]hex-5-yn-1-one
CID 87057862

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)pyrrolidin-1-yl]-2-[methyl(methylamino)amino]ethanone?
The IUPAC name of 1-[3-(dimethylamino)pyrrolidin-1-yl]-2-[methyl(methylamino)amino]ethanone (CID 177006682) is 1-[3-(dimethylamino)pyrrolidin-1-yl]-2-[methyl(methylamino)amino]ethanone.
What is the SMILES notation for 1-[3-(dimethylamino)pyrrolidin-1-yl]-2-[methyl(methylamino)amino]ethanone?
The canonical SMILES for 1-[3-(dimethylamino)pyrrolidin-1-yl]-2-[methyl(methylamino)amino]ethanone is CNN(C)CC(=O)N1CCC(N(C)C)C1.
What is the InChIKey of 1-[3-(dimethylamino)pyrrolidin-1-yl]-2-[methyl(methylamino)amino]ethanone?
The InChIKey is BMGATSIXVNGKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O/c1-11-13(4)8-10(15)14-6-5-9(7-14)12(2)3/h9,11H,5-8H2,1-4H3.
What are the key properties of 1-[3-(dimethylamino)pyrrolidin-1-yl]-2-[methyl(methylamino)amino]ethanone?
1-[3-(dimethylamino)pyrrolidin-1-yl]-2-[methyl(methylamino)amino]ethanone has a molecular weight of 214.31 g/mol, XLogP of -0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)pyrrolidin-1-yl]-2-[methyl(methylamino)amino]ethanone is sourced from PubChem (CID 177006682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).