4-amino-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one;dihydrochloride

C8H19Cl2N3O — CID 82021991

IUPAC4-amino-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one;dihydrochloride
SMILESCN(C)CCN1CC(N)CC1=O.Cl.Cl
InChIInChI=1S/C8H17N3O.2ClH/c1-10(2)3-4-11-6-7(9)5-8(11)12;;/h7H,3-6,9H2,1-2H3;2*1H
InChIKeyHXZFKVCRZDULLH-UHFFFAOYSA-N
MW244.17 g/mol
LogP-0.05
Rot. Bonds3

About 4-amino-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one;dihydrochloride

4-amino-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one;dihydrochloride (PubChem CID 82021991) has the molecular formula C8H19Cl2N3O and a molecular weight of 244.17 g/mol. Its IUPAC name is 4-amino-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one;dihydrochloride.

Molecular Properties

Compound Name4-amino-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one;dihydrochloride
PubChem CID82021991
Molecular FormulaC8H19Cl2N3O
Molecular Weight244.17 g/mol
Exact Mass243.09
IUPAC Name4-amino-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one;dihydrochloride
SMILESCN(C)CCN1CC(N)CC1=O.Cl.Cl
InChIInChI=1S/C8H17N3O.2ClH/c1-10(2)3-4-11-6-7(9)5-8(11)12;;/h7H,3-6,9H2,1-2H3;2*1H
InChIKeyHXZFKVCRZDULLH-UHFFFAOYSA-N
XLogP-0.05
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.17
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-1-[2-(dimethylamino)ethyl]-4-methylpiperidin-2-one
CID 79355239
4-amino-1-[3-(dipropylamino)propyl]pyrrolidin-2-one
CID 168699218
4-amino-1-(7-aminoheptyl)pyrrolidin-2-one
CID 168700119
2-(4-amino-2-oxopyrrolidin-1-yl)ethanesulfonic acid
CID 168700166
N-(3-amino-2,2-dimethylpropyl)-1-[2-(dimethylamino)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide;dihydrochloride
CID 119654808
4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one
CID 120819697
5-(4-amino-2-oxopyrrolidin-1-yl)pentanoic acid
CID 168700114
N-(2-amino-2-ethylbutyl)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide;dihydrochloride
CID 119641855
4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one;hydrochloride
CID 120855663
4-amino-1-[3-(4-propylphenyl)propyl]pyrrolidin-2-one
CID 112514796
N-(3-aminobutyl)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 119497303
(3R)-N-(cyclopropylmethyl)-1-[2-(dimethylamino)ethyl]-5-oxo-N-propylpyrrolidine-3-carboxamide
CID 95769107

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one;dihydrochloride?
The IUPAC name of 4-amino-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one;dihydrochloride (CID 82021991) is 4-amino-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one;dihydrochloride.
What is the SMILES notation for 4-amino-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one;dihydrochloride?
The canonical SMILES for 4-amino-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one;dihydrochloride is CN(C)CCN1CC(N)CC1=O.Cl.Cl.
What is the InChIKey of 4-amino-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one;dihydrochloride?
The InChIKey is HXZFKVCRZDULLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O.2ClH/c1-10(2)3-4-11-6-7(9)5-8(11)12;;/h7H,3-6,9H2,1-2H3;2*1H.
What are the key properties of 4-amino-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one;dihydrochloride?
4-amino-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one;dihydrochloride has a molecular weight of 244.17 g/mol, XLogP of -0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one;dihydrochloride is sourced from PubChem (CID 82021991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).