4-amino-1-(3,4-dimethylpyrrolidin-1-yl)pentan-1-one

C11H22N2O — CID 79181825

IUPAC4-amino-1-(3,4-dimethylpyrrolidin-1-yl)pentan-1-one
SMILESCC(N)CCC(=O)N1CC(C)C(C)C1
InChIInChI=1S/C11H22N2O/c1-8-6-13(7-9(8)2)11(14)5-4-10(3)12/h8-10H,4-7,12H2,1-3H3
InChIKeyJPCLJUHAUYFVFT-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.23
Rot. Bonds3

About 4-amino-1-(3,4-dimethylpyrrolidin-1-yl)pentan-1-one

4-amino-1-(3,4-dimethylpyrrolidin-1-yl)pentan-1-one (PubChem CID 79181825) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 4-amino-1-(3,4-dimethylpyrrolidin-1-yl)pentan-1-one.

Molecular Properties

Compound Name4-amino-1-(3,4-dimethylpyrrolidin-1-yl)pentan-1-one
PubChem CID79181825
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name4-amino-1-(3,4-dimethylpyrrolidin-1-yl)pentan-1-one
SMILESCC(N)CCC(=O)N1CC(C)C(C)C1
InChIInChI=1S/C11H22N2O/c1-8-6-13(7-9(8)2)11(14)5-4-10(3)12/h8-10H,4-7,12H2,1-3H3
InChIKeyJPCLJUHAUYFVFT-UHFFFAOYSA-N
XLogP1.23
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(4-aminopentanoyl)azetidin-3-yl]propanoic acid
CID 116682380
1-(4-aminopentanoyl)piperidine-3,4-dicarboxylic acid
CID 112568092
3-chloro-1-(3,4-dimethylpyrrolidin-1-yl)propan-1-one
CID 79183317
4-amino-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;dihydrochloride
CID 120564498
4-amino-1-(4-cyclopropylpiperazin-1-yl)pentan-1-one;dihydrochloride
CID 120564504
4-amino-1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]pentan-1-one
CID 120560564
4-amino-1-(4-ethenylpiperidin-1-yl)pentan-1-one
CID 120562621
1-(5-amino-4-methylpentanoyl)-4-methylpyrrolidine-3-carboxylic acid
CID 82688261
(2R)-2-amino-1-(3,4-dimethylpyrrolidin-1-yl)propan-1-one
CID 79180602
2-amino-1-(3,4-dimethylpyrrolidin-1-yl)propan-1-one
CID 79181117
4-amino-1-(4-ethenylpiperidin-1-yl)pentan-1-one;hydrochloride
CID 120562620
4-amino-1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]pentan-1-one;hydrochloride
CID 120560088

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(3,4-dimethylpyrrolidin-1-yl)pentan-1-one?
The IUPAC name of 4-amino-1-(3,4-dimethylpyrrolidin-1-yl)pentan-1-one (CID 79181825) is 4-amino-1-(3,4-dimethylpyrrolidin-1-yl)pentan-1-one.
What is the SMILES notation for 4-amino-1-(3,4-dimethylpyrrolidin-1-yl)pentan-1-one?
The canonical SMILES for 4-amino-1-(3,4-dimethylpyrrolidin-1-yl)pentan-1-one is CC(N)CCC(=O)N1CC(C)C(C)C1.
What is the InChIKey of 4-amino-1-(3,4-dimethylpyrrolidin-1-yl)pentan-1-one?
The InChIKey is JPCLJUHAUYFVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-8-6-13(7-9(8)2)11(14)5-4-10(3)12/h8-10H,4-7,12H2,1-3H3.
What are the key properties of 4-amino-1-(3,4-dimethylpyrrolidin-1-yl)pentan-1-one?
4-amino-1-(3,4-dimethylpyrrolidin-1-yl)pentan-1-one has a molecular weight of 198.31 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(3,4-dimethylpyrrolidin-1-yl)pentan-1-one is sourced from PubChem (CID 79181825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).