2-amino-1-[3-(dimethylamino)pyrrolidin-1-yl]-2-ethylbutan-1-one

C12H25N3O — CID 79814784

IUPAC2-amino-1-[3-(dimethylamino)pyrrolidin-1-yl]-2-ethylbutan-1-one
SMILESCCC(N)(CC)C(=O)N1CCC(N(C)C)C1
InChIInChI=1S/C12H25N3O/c1-5-12(13,6-2)11(16)15-8-7-10(9-15)14(3)4/h10H,5-9,13H2,1-4H3
InChIKeyZDUGFDOKCQNMJP-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.67
Rot. Bonds4

About 2-amino-1-[3-(dimethylamino)pyrrolidin-1-yl]-2-ethylbutan-1-one

2-amino-1-[3-(dimethylamino)pyrrolidin-1-yl]-2-ethylbutan-1-one (PubChem CID 79814784) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-amino-1-[3-(dimethylamino)pyrrolidin-1-yl]-2-ethylbutan-1-one.

Molecular Properties

Compound Name2-amino-1-[3-(dimethylamino)pyrrolidin-1-yl]-2-ethylbutan-1-one
PubChem CID79814784
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name2-amino-1-[3-(dimethylamino)pyrrolidin-1-yl]-2-ethylbutan-1-one
SMILESCCC(N)(CC)C(=O)N1CCC(N(C)C)C1
InChIInChI=1S/C12H25N3O/c1-5-12(13,6-2)11(16)15-8-7-10(9-15)14(3)4/h10H,5-9,13H2,1-4H3
InChIKeyZDUGFDOKCQNMJP-UHFFFAOYSA-N
XLogP0.67
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(dimethylamino)pyrrolidine-1-carbonyl]-2-methylbutanethioamide
CID 114292277
2-bromo-1-[3-(dimethylamino)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 114328660
2-[3-(dimethylamino)pyrrolidine-1-carbonyl]-2-propylpentanethioamide
CID 63513942
ethane;ethyl 3-(dimethylamino)pyrrolidine-1-carboxylate
CID 162757671
3-amino-1-[3-(diethylamino)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one;dihydrochloride
CID 119843250
3-[3-(dimethylamino)pyrrolidin-1-yl]-N'-hydroxy-2,2-dimethyl-3-oxopropanimidamide
CID 76986953
3-amino-1-[3-(dimethylamino)pyrrolidin-1-yl]propan-1-one
CID 63164681
(1-aminocyclopropyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 65464508
3-(dimethylamino)pyrrolidine-1-carbonyl chloride
CID 79886816
2-bromo-1-[3-(dimethylamino)pyrrolidin-1-yl]ethanone
CID 55246948
2-amino-2-ethyl-1-[3-(methoxymethyl)piperidin-1-yl]butan-1-one
CID 106586761
(2S)-2-amino-1-[3-(dimethylamino)pyrrolidin-1-yl]-4-methylpentan-1-one;dihydrochloride
CID 119032049

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[3-(dimethylamino)pyrrolidin-1-yl]-2-ethylbutan-1-one?
The IUPAC name of 2-amino-1-[3-(dimethylamino)pyrrolidin-1-yl]-2-ethylbutan-1-one (CID 79814784) is 2-amino-1-[3-(dimethylamino)pyrrolidin-1-yl]-2-ethylbutan-1-one.
What is the SMILES notation for 2-amino-1-[3-(dimethylamino)pyrrolidin-1-yl]-2-ethylbutan-1-one?
The canonical SMILES for 2-amino-1-[3-(dimethylamino)pyrrolidin-1-yl]-2-ethylbutan-1-one is CCC(N)(CC)C(=O)N1CCC(N(C)C)C1.
What is the InChIKey of 2-amino-1-[3-(dimethylamino)pyrrolidin-1-yl]-2-ethylbutan-1-one?
The InChIKey is ZDUGFDOKCQNMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-5-12(13,6-2)11(16)15-8-7-10(9-15)14(3)4/h10H,5-9,13H2,1-4H3.
What are the key properties of 2-amino-1-[3-(dimethylamino)pyrrolidin-1-yl]-2-ethylbutan-1-one?
2-amino-1-[3-(dimethylamino)pyrrolidin-1-yl]-2-ethylbutan-1-one has a molecular weight of 227.35 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[3-(dimethylamino)pyrrolidin-1-yl]-2-ethylbutan-1-one is sourced from PubChem (CID 79814784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).