3-amino-1-[3-(dimethylamino)pyrrolidin-1-yl]propan-1-one

C9H19N3O — CID 63164681

IUPAC3-amino-1-[3-(dimethylamino)pyrrolidin-1-yl]propan-1-one
SMILESCN(C)C1CCN(C(=O)CCN)C1
InChIInChI=1S/C9H19N3O/c1-11(2)8-4-6-12(7-8)9(13)3-5-10/h8H,3-7,10H2,1-2H3
InChIKeyBSBAOKCFPNPJTF-UHFFFAOYSA-N
MW185.27 g/mol
LogP-0.50
Rot. Bonds3

About 3-amino-1-[3-(dimethylamino)pyrrolidin-1-yl]propan-1-one

3-amino-1-[3-(dimethylamino)pyrrolidin-1-yl]propan-1-one (PubChem CID 63164681) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 3-amino-1-[3-(dimethylamino)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-amino-1-[3-(dimethylamino)pyrrolidin-1-yl]propan-1-one
PubChem CID63164681
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name3-amino-1-[3-(dimethylamino)pyrrolidin-1-yl]propan-1-one
SMILESCN(C)C1CCN(C(=O)CCN)C1
InChIInChI=1S/C9H19N3O/c1-11(2)8-4-6-12(7-8)9(13)3-5-10/h8H,3-7,10H2,1-2H3
InChIKeyBSBAOKCFPNPJTF-UHFFFAOYSA-N
XLogP-0.50
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 ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-1-[3-(dimethylamino)pyrrolidin-1-yl]ethanone
CID 55246948
2-[4-(aminomethyl)cyclohexyl]-1-[3-(dimethylamino)pyrrolidin-1-yl]ethanone
CID 63611894
1-[3-(dimethylamino)pyrrolidin-1-yl]hex-5-yn-1-one
CID 87057862
3-amino-1-[4-(diethylamino)piperidin-1-yl]propan-1-one
CID 60952932
3-(3-aminocyclohexyl)-1-[3-(dimethylamino)pyrrolidin-1-yl]propan-1-one
CID 80701437
3-amino-1-(3-iodopyrrolidin-1-yl)propan-1-one
CID 121327609
1-[3-(dimethylamino)pyrrolidin-1-yl]-2-piperazin-1-ylethanone
CID 55169216
1-[3-(dimethylamino)pyrrolidin-1-yl]-2-[methyl(methylamino)amino]ethanone
CID 177006682
2-(2-aminocyclohexyl)-1-[3-(dimethylamino)pyrrolidin-1-yl]ethanone
CID 63174996
1-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-phenylethanone
CID 174895598
[1-(3-aminopropanoyl)pyrrolidin-3-yl]boronic acid
CID 167854630
ethane;ethyl 3-(dimethylamino)pyrrolidine-1-carboxylate
CID 162757671

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[3-(dimethylamino)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 3-amino-1-[3-(dimethylamino)pyrrolidin-1-yl]propan-1-one (CID 63164681) is 3-amino-1-[3-(dimethylamino)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 3-amino-1-[3-(dimethylamino)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 3-amino-1-[3-(dimethylamino)pyrrolidin-1-yl]propan-1-one is CN(C)C1CCN(C(=O)CCN)C1.
What is the InChIKey of 3-amino-1-[3-(dimethylamino)pyrrolidin-1-yl]propan-1-one?
The InChIKey is BSBAOKCFPNPJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-11(2)8-4-6-12(7-8)9(13)3-5-10/h8H,3-7,10H2,1-2H3.
What are the key properties of 3-amino-1-[3-(dimethylamino)pyrrolidin-1-yl]propan-1-one?
3-amino-1-[3-(dimethylamino)pyrrolidin-1-yl]propan-1-one has a molecular weight of 185.27 g/mol, XLogP of -0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[3-(dimethylamino)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 63164681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).