1-[1-[2-(diethylamino)ethyl]pyrrolidin-2-yl]propan-2-one

C13H26N2O — CID 79546576

IUPAC1-[1-[2-(diethylamino)ethyl]pyrrolidin-2-yl]propan-2-one
SMILESCCN(CC)CCN1CCCC1CC(C)=O
InChIInChI=1S/C13H26N2O/c1-4-14(5-2)9-10-15-8-6-7-13(15)11-12(3)16/h13H,4-11H2,1-3H3
InChIKeyPLISEKOGQGEQQB-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.77
Rot. Bonds7

About 1-[1-[2-(diethylamino)ethyl]pyrrolidin-2-yl]propan-2-one

1-[1-[2-(diethylamino)ethyl]pyrrolidin-2-yl]propan-2-one (PubChem CID 79546576) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-[1-[2-(diethylamino)ethyl]pyrrolidin-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[1-[2-(diethylamino)ethyl]pyrrolidin-2-yl]propan-2-one
PubChem CID79546576
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name1-[1-[2-(diethylamino)ethyl]pyrrolidin-2-yl]propan-2-one
SMILESCCN(CC)CCN1CCCC1CC(C)=O
InChIInChI=1S/C13H26N2O/c1-4-14(5-2)9-10-15-8-6-7-13(15)11-12(3)16/h13H,4-11H2,1-3H3
InChIKeyPLISEKOGQGEQQB-UHFFFAOYSA-N
XLogP1.77
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-1-[2-(diethylamino)ethyl]pyrrolidin-2-yl]methanol
CID 115277584
N,N-diethyl-2-[2-(2-oxopropyl)pyrrolidin-1-yl]acetamide
CID 79546901
1-(1-octylpiperidin-2-yl)propan-2-one
CID 79537819
1-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-2-yl]propan-2-one
CID 82892304
1-[1-[3-(dimethylamino)propyl]azepan-2-yl]propan-2-one
CID 114525397
N-cyclopropyl-N-ethyl-2-[2-(2-oxopropyl)pyrrolidin-1-yl]acetamide
CID 79547130
ethane;1-(1-methylpyrrolidin-2-yl)propan-2-one
CID 91473977
1-[1-(2-fluoroethyl)piperidin-2-yl]propan-2-one
CID 80695193
N,N-diethyl-2-[2-(ethylaminomethyl)piperidin-1-yl]ethanamine
CID 63847288
N,N-dimethyl-2-[2-(2-oxopropyl)pyrrolidin-1-yl]acetamide
CID 79546567
2-[1-[2-(diethylamino)ethyl]piperidin-2-yl]ethanamine
CID 63760471
1-[1-(2-hydroxypropyl)pyrrolidin-2-yl]propan-2-one
CID 79545888

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(diethylamino)ethyl]pyrrolidin-2-yl]propan-2-one?
The IUPAC name of 1-[1-[2-(diethylamino)ethyl]pyrrolidin-2-yl]propan-2-one (CID 79546576) is 1-[1-[2-(diethylamino)ethyl]pyrrolidin-2-yl]propan-2-one.
What is the SMILES notation for 1-[1-[2-(diethylamino)ethyl]pyrrolidin-2-yl]propan-2-one?
The canonical SMILES for 1-[1-[2-(diethylamino)ethyl]pyrrolidin-2-yl]propan-2-one is CCN(CC)CCN1CCCC1CC(C)=O.
What is the InChIKey of 1-[1-[2-(diethylamino)ethyl]pyrrolidin-2-yl]propan-2-one?
The InChIKey is PLISEKOGQGEQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-4-14(5-2)9-10-15-8-6-7-13(15)11-12(3)16/h13H,4-11H2,1-3H3.
What are the key properties of 1-[1-[2-(diethylamino)ethyl]pyrrolidin-2-yl]propan-2-one?
1-[1-[2-(diethylamino)ethyl]pyrrolidin-2-yl]propan-2-one has a molecular weight of 226.36 g/mol, XLogP of 1.77, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(diethylamino)ethyl]pyrrolidin-2-yl]propan-2-one is sourced from PubChem (CID 79546576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).