1-(2-ethylpyrrolidin-1-yl)-3-(propan-2-ylamino)propan-1-one

C12H24N2O — CID 60974351

IUPAC1-(2-ethylpyrrolidin-1-yl)-3-(propan-2-ylamino)propan-1-one
SMILESCCC1CCCN1C(=O)CCNC(C)C
InChIInChI=1S/C12H24N2O/c1-4-11-6-5-9-14(11)12(15)7-8-13-10(2)3/h10-11,13H,4-9H2,1-3H3
InChIKeyIHLHMWGYYFLZGH-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.78
Rot. Bonds5

About 1-(2-ethylpyrrolidin-1-yl)-3-(propan-2-ylamino)propan-1-one

1-(2-ethylpyrrolidin-1-yl)-3-(propan-2-ylamino)propan-1-one (PubChem CID 60974351) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-(2-ethylpyrrolidin-1-yl)-3-(propan-2-ylamino)propan-1-one.

Molecular Properties

Compound Name1-(2-ethylpyrrolidin-1-yl)-3-(propan-2-ylamino)propan-1-one
PubChem CID60974351
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1-(2-ethylpyrrolidin-1-yl)-3-(propan-2-ylamino)propan-1-one
SMILESCCC1CCCN1C(=O)CCNC(C)C
InChIInChI=1S/C12H24N2O/c1-4-11-6-5-9-14(11)12(15)7-8-13-10(2)3/h10-11,13H,4-9H2,1-3H3
InChIKeyIHLHMWGYYFLZGH-UHFFFAOYSA-N
XLogP1.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-(propan-2-ylamino)propan-1-one
CID 61409975
1-(2-ethylpyrrolidin-1-yl)butan-1-one
CID 63083979
1-[2-(hydroxymethyl)pyrrolidin-1-yl]-4-(propan-2-ylamino)butan-1-one
CID 61409599
1-[3-(propan-2-ylamino)propanoyl]pyrrolidine-2-carboxylic acid
CID 61157681
3-(cyclopropylamino)-1-(2-ethylpiperidin-1-yl)propan-1-one
CID 60843505
1-(2-ethylpiperidin-1-yl)-4-methylpentan-1-one
CID 150449781
6-(2-ethylpyrrolidin-1-yl)-6-oxohexanoic acid
CID 60973387
tert-butyl N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]carbamate
CID 127108331
1-(2-ethylpiperidin-1-yl)pentan-1-one
CID 3041221
2-chloro-1-[(2R)-2-ethylpiperidin-1-yl]ethanone
CID 7628883
4-(2-ethylazepan-1-yl)-4-oxobutanoic acid
CID 115910484
1-(2-ethylazepan-1-yl)-3-methoxypropan-1-one
CID 167776443

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpyrrolidin-1-yl)-3-(propan-2-ylamino)propan-1-one?
The IUPAC name of 1-(2-ethylpyrrolidin-1-yl)-3-(propan-2-ylamino)propan-1-one (CID 60974351) is 1-(2-ethylpyrrolidin-1-yl)-3-(propan-2-ylamino)propan-1-one.
What is the SMILES notation for 1-(2-ethylpyrrolidin-1-yl)-3-(propan-2-ylamino)propan-1-one?
The canonical SMILES for 1-(2-ethylpyrrolidin-1-yl)-3-(propan-2-ylamino)propan-1-one is CCC1CCCN1C(=O)CCNC(C)C.
What is the InChIKey of 1-(2-ethylpyrrolidin-1-yl)-3-(propan-2-ylamino)propan-1-one?
The InChIKey is IHLHMWGYYFLZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-4-11-6-5-9-14(11)12(15)7-8-13-10(2)3/h10-11,13H,4-9H2,1-3H3.
What are the key properties of 1-(2-ethylpyrrolidin-1-yl)-3-(propan-2-ylamino)propan-1-one?
1-(2-ethylpyrrolidin-1-yl)-3-(propan-2-ylamino)propan-1-one has a molecular weight of 212.34 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpyrrolidin-1-yl)-3-(propan-2-ylamino)propan-1-one is sourced from PubChem (CID 60974351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).