N-[2-(dimethylamino)ethyl]-1-methylpyrrolidine-2-carboxamide;ethane

C12H27N3O — CID 143685494

IUPACN-[2-(dimethylamino)ethyl]-1-methylpyrrolidine-2-carboxamide;ethane
SMILESCC.CN(C)CCNC(=O)C1CCCN1C
InChIInChI=1S/C10H21N3O.C2H6/c1-12(2)8-6-11-10(14)9-5-4-7-13(9)3;1-2/h9H,4-8H2,1-3H3,(H,11,14);1-2H3
InChIKeyCBRDQVVIMHNYRA-UHFFFAOYSA-N
MW229.37 g/mol
LogP0.78
Rot. Bonds4

About N-[2-(dimethylamino)ethyl]-1-methylpyrrolidine-2-carboxamide;ethane

N-[2-(dimethylamino)ethyl]-1-methylpyrrolidine-2-carboxamide;ethane (PubChem CID 143685494) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-1-methylpyrrolidine-2-carboxamide;ethane.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-1-methylpyrrolidine-2-carboxamide;ethane
PubChem CID143685494
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC NameN-[2-(dimethylamino)ethyl]-1-methylpyrrolidine-2-carboxamide;ethane
SMILESCC.CN(C)CCNC(=O)C1CCCN1C
InChIInChI=1S/C10H21N3O.C2H6/c1-12(2)8-6-11-10(14)9-5-4-7-13(9)3;1-2/h9H,4-8H2,1-3H3,(H,11,14);1-2H3
InChIKeyCBRDQVVIMHNYRA-UHFFFAOYSA-N
XLogP0.78
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-1-methylpyrrolidine-2-carboxamide;ethane;formaldehyde
CID 142213067
(2S)-1-methyl-N-(3-methylbutyl)pyrrolidine-2-carboxamide
CID 139684981
N-(3-hydroxy-3-methylbutyl)-1-methylpyrrolidine-2-carboxamide
CID 130257130
1-methyl-N-pent-4-ynylpyrrolidine-2-carboxamide
CID 143354246
N-[2-(dimethylamino)ethyl]cyclohexanecarboxamide;dihydrochloride
CID 139348524
1-[2-(dimethylamino)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 61188498
4-[(1-methylpiperidine-2-carbonyl)amino]butanoic acid
CID 110837340
N-[2-(dimethylamino)ethyl]-1-methylpyrrolidine-3-carboxamide
CID 110849594
(2R)-N-[3-[(1S,2R)-2-hydroxycyclohexyl]propyl]-1-methylpyrrolidine-2-carboxamide
CID 124857791
1-[2-(dimethylamino)(213C)ethyl]-N-[3-oxo-3-(3-oxo(313C)butylamino)propyl](2,3,4,5-13C4,115N)azolidine-2-carboxamide
CID 129148319
(2S)-1-methylpyrrolidine-2-carbohydrazide
CID 12522151
4-N-[2-(dimethylamino)ethyl]-1-N-[3-(dimethylamino)propyl]cyclohexane-1,4-dicarboxamide
CID 109147025

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-1-methylpyrrolidine-2-carboxamide;ethane?
The IUPAC name of N-[2-(dimethylamino)ethyl]-1-methylpyrrolidine-2-carboxamide;ethane (CID 143685494) is N-[2-(dimethylamino)ethyl]-1-methylpyrrolidine-2-carboxamide;ethane.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-1-methylpyrrolidine-2-carboxamide;ethane?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-1-methylpyrrolidine-2-carboxamide;ethane is CC.CN(C)CCNC(=O)C1CCCN1C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-1-methylpyrrolidine-2-carboxamide;ethane?
The InChIKey is CBRDQVVIMHNYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O.C2H6/c1-12(2)8-6-11-10(14)9-5-4-7-13(9)3;1-2/h9H,4-8H2,1-3H3,(H,11,14);1-2H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-1-methylpyrrolidine-2-carboxamide;ethane?
N-[2-(dimethylamino)ethyl]-1-methylpyrrolidine-2-carboxamide;ethane has a molecular weight of 229.37 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-1-methylpyrrolidine-2-carboxamide;ethane is sourced from PubChem (CID 143685494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).