N-(3-amino-2,2-dimethylpropyl)-1-[2-(dimethylamino)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide;dihydrochloride

C15H32Cl2N4O2 — CID 119654808

IUPACN-(3-amino-2,2-dimethylpropyl)-1-[2-(dimethylamino)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide;dihydrochloride
SMILESCN(C)CCN1CC(C(=O)N(C)CC(C)(C)CN)CC1=O.Cl.Cl
InChIInChI=1S/C15H30N4O2.2ClH/c1-15(2,10-16)11-18(5)14(21)12-8-13(20)19(9-12)7-6-17(3)4;;/h12H,6-11,16H2,1-5H3;2*1H
InChIKeyAZTAAPKQUPNXFU-UHFFFAOYSA-N
MW371.35 g/mol
LogP0.68
Rot. Bonds7

About N-(3-amino-2,2-dimethylpropyl)-1-[2-(dimethylamino)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide;dihydrochloride

N-(3-amino-2,2-dimethylpropyl)-1-[2-(dimethylamino)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide;dihydrochloride (PubChem CID 119654808) has the molecular formula C15H32Cl2N4O2 and a molecular weight of 371.35 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-1-[2-(dimethylamino)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-1-[2-(dimethylamino)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide;dihydrochloride
PubChem CID119654808
Molecular FormulaC15H32Cl2N4O2
Molecular Weight371.35 g/mol
Exact Mass370.19
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-1-[2-(dimethylamino)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide;dihydrochloride
SMILESCN(C)CCN1CC(C(=O)N(C)CC(C)(C)CN)CC1=O.Cl.Cl
InChIInChI=1S/C15H30N4O2.2ClH/c1-15(2,10-16)11-18(5)14(21)12-8-13(20)19(9-12)7-6-17(3)4;;/h12H,6-11,16H2,1-5H3;2*1H
InChIKeyAZTAAPKQUPNXFU-UHFFFAOYSA-N
XLogP0.68
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.35
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-1-[(4-methoxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 119657051
N-(3-amino-2,2-dimethylpropyl)-1-(4-chlorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119656804
N-(2-amino-2-ethylbutyl)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide;dihydrochloride
CID 119641855
(3R)-1-[2-(dimethylamino)ethyl]-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 97186593
1-(2-methoxyethyl)-N-methyl-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 131946273
(3R)-N-(cyclopropylmethyl)-1-[2-(dimethylamino)ethyl]-5-oxo-N-propylpyrrolidine-3-carboxamide
CID 95769107
N-(2-hydroxy-2-methylpropyl)-N-methyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 111543092
N-(2-hydroxy-2-methylpropyl)-N,1-dimethyl-5-oxopyrrolidine-3-carboxamide
CID 79382298
4-amino-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one;dihydrochloride
CID 82021991
N-(3-amino-2,2-dimethylpropyl)-1-(3-bromophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 119656166
1-[2-(dimethylamino)ethyl]-N-methyl-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide
CID 119552395
(3R)-1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxylic acid
CID 735293

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-1-[2-(dimethylamino)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide;dihydrochloride?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-1-[2-(dimethylamino)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide;dihydrochloride (CID 119654808) is N-(3-amino-2,2-dimethylpropyl)-1-[2-(dimethylamino)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-1-[2-(dimethylamino)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-1-[2-(dimethylamino)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide;dihydrochloride is CN(C)CCN1CC(C(=O)N(C)CC(C)(C)CN)CC1=O.Cl.Cl.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-1-[2-(dimethylamino)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide;dihydrochloride?
The InChIKey is AZTAAPKQUPNXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O2.2ClH/c1-15(2,10-16)11-18(5)14(21)12-8-13(20)19(9-12)7-6-17(3)4;;/h12H,6-11,16H2,1-5H3;2*1H.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-1-[2-(dimethylamino)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide;dihydrochloride?
N-(3-amino-2,2-dimethylpropyl)-1-[2-(dimethylamino)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide;dihydrochloride has a molecular weight of 371.35 g/mol, XLogP of 0.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-1-[2-(dimethylamino)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119654808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).