4-amino-1-(2-ethylpyrrolidin-1-yl)-2-methylbutan-1-one

C11H22N2O — CID 80543143

IUPAC4-amino-1-(2-ethylpyrrolidin-1-yl)-2-methylbutan-1-one
SMILESCCC1CCCN1C(=O)C(C)CCN
InChIInChI=1S/C11H22N2O/c1-3-10-5-4-8-13(10)11(14)9(2)6-7-12/h9-10H,3-8,12H2,1-2H3
InChIKeyLKNHPGPHSSOVCH-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.37
Rot. Bonds4

About 4-amino-1-(2-ethylpyrrolidin-1-yl)-2-methylbutan-1-one

4-amino-1-(2-ethylpyrrolidin-1-yl)-2-methylbutan-1-one (PubChem CID 80543143) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 4-amino-1-(2-ethylpyrrolidin-1-yl)-2-methylbutan-1-one.

Molecular Properties

Compound Name4-amino-1-(2-ethylpyrrolidin-1-yl)-2-methylbutan-1-one
PubChem CID80543143
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name4-amino-1-(2-ethylpyrrolidin-1-yl)-2-methylbutan-1-one
SMILESCCC1CCCN1C(=O)C(C)CCN
InChIInChI=1S/C11H22N2O/c1-3-10-5-4-8-13(10)11(14)9(2)6-7-12/h9-10H,3-8,12H2,1-2H3
InChIKeyLKNHPGPHSSOVCH-UHFFFAOYSA-N
XLogP1.37
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-[(2R)-2-ethylpiperidin-1-yl]-2-methylpentan-1-one
CID 875586
4-amino-1-(3-ethylmorpholin-4-yl)-2-methylbutan-1-one
CID 80542052
(2R)-2-amino-1-(2-ethylpyrrolidin-1-yl)-3-methylbutan-1-one
CID 79012804
1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpentan-1-one
CID 79029056
5-amino-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-methylpentan-1-one
CID 104684988
(2S)-2-amino-1-(2-ethylpyrrolidin-1-yl)-4-methylpentan-1-one
CID 61165353
(2R)-2-amino-1-(2-ethylpyrrolidin-1-yl)-4-methylpentan-1-one
CID 104903172
3-(ethylamino)-1-(2-ethylazepan-1-yl)-2-methylpropan-1-one
CID 104689693
(2S)-2-amino-1-(2-ethylpyrrolidin-1-yl)-3,3-dimethylbutan-1-one
CID 61165533
1-[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 28706895
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 58333551
1-(2-ethylazepan-1-yl)-2-methyl-3-(methylamino)propan-1-one;hydrochloride
CID 119793413

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2-ethylpyrrolidin-1-yl)-2-methylbutan-1-one?
The IUPAC name of 4-amino-1-(2-ethylpyrrolidin-1-yl)-2-methylbutan-1-one (CID 80543143) is 4-amino-1-(2-ethylpyrrolidin-1-yl)-2-methylbutan-1-one.
What is the SMILES notation for 4-amino-1-(2-ethylpyrrolidin-1-yl)-2-methylbutan-1-one?
The canonical SMILES for 4-amino-1-(2-ethylpyrrolidin-1-yl)-2-methylbutan-1-one is CCC1CCCN1C(=O)C(C)CCN.
What is the InChIKey of 4-amino-1-(2-ethylpyrrolidin-1-yl)-2-methylbutan-1-one?
The InChIKey is LKNHPGPHSSOVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-3-10-5-4-8-13(10)11(14)9(2)6-7-12/h9-10H,3-8,12H2,1-2H3.
What are the key properties of 4-amino-1-(2-ethylpyrrolidin-1-yl)-2-methylbutan-1-one?
4-amino-1-(2-ethylpyrrolidin-1-yl)-2-methylbutan-1-one has a molecular weight of 198.31 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2-ethylpyrrolidin-1-yl)-2-methylbutan-1-one is sourced from PubChem (CID 80543143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).