1-[2-(ethylamino)ethyl]-N,3-dimethylpyrrolidine-3-carboxamide

C11H23N3O — CID 106318064

IUPAC1-[2-(ethylamino)ethyl]-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCCNCCN1CCC(C)(C(=O)NC)C1
InChIInChI=1S/C11H23N3O/c1-4-13-6-8-14-7-5-11(2,9-14)10(15)12-3/h13H,4-9H2,1-3H3,(H,12,15)
InChIKeyXEODDIYMIGLFRK-UHFFFAOYSA-N
MW213.32 g/mol
LogP0.05
Rot. Bonds5

About 1-[2-(ethylamino)ethyl]-N,3-dimethylpyrrolidine-3-carboxamide

1-[2-(ethylamino)ethyl]-N,3-dimethylpyrrolidine-3-carboxamide (PubChem CID 106318064) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-[2-(ethylamino)ethyl]-N,3-dimethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(ethylamino)ethyl]-N,3-dimethylpyrrolidine-3-carboxamide
PubChem CID106318064
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name1-[2-(ethylamino)ethyl]-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCCNCCN1CCC(C)(C(=O)NC)C1
InChIInChI=1S/C11H23N3O/c1-4-13-6-8-14-7-5-11(2,9-14)10(15)12-3/h13H,4-9H2,1-3H3,(H,12,15)
InChIKeyXEODDIYMIGLFRK-UHFFFAOYSA-N
XLogP0.05
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,3-dimethyl-1-[2-(methylamino)ethyl]pyrrolidine-3-carboxamide
CID 106318104
1-(3-hydrazinyl-3-oxopropyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106322049
1-(4-hydrazinyl-4-oxobutyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 114173352
N,3-dimethyl-1-[2-(2-oxocyclopentyl)ethyl]pyrrolidine-3-carboxamide
CID 106319162
1-[2-(ethylamino)ethyl]-4-methylpiperidin-4-ol
CID 81103848
2-methyl-3-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]propanoic acid
CID 106318937
ethyl 3-hydroxy-4-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]butanoate
CID 106318945
ethyl 4-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]-3-oxobutanoate
CID 114172924
N,3-dimethyl-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 120904288
2-amino-3-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]propanoic acid
CID 106318954
(Z)-2-methyl-4-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]but-2-enoic acid
CID 106318992
1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106321573

Frequently Asked Questions

What is the IUPAC name of 1-[2-(ethylamino)ethyl]-N,3-dimethylpyrrolidine-3-carboxamide?
The IUPAC name of 1-[2-(ethylamino)ethyl]-N,3-dimethylpyrrolidine-3-carboxamide (CID 106318064) is 1-[2-(ethylamino)ethyl]-N,3-dimethylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[2-(ethylamino)ethyl]-N,3-dimethylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-[2-(ethylamino)ethyl]-N,3-dimethylpyrrolidine-3-carboxamide is CCNCCN1CCC(C)(C(=O)NC)C1.
What is the InChIKey of 1-[2-(ethylamino)ethyl]-N,3-dimethylpyrrolidine-3-carboxamide?
The InChIKey is XEODDIYMIGLFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-4-13-6-8-14-7-5-11(2,9-14)10(15)12-3/h13H,4-9H2,1-3H3,(H,12,15).
What are the key properties of 1-[2-(ethylamino)ethyl]-N,3-dimethylpyrrolidine-3-carboxamide?
1-[2-(ethylamino)ethyl]-N,3-dimethylpyrrolidine-3-carboxamide has a molecular weight of 213.32 g/mol, XLogP of 0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(ethylamino)ethyl]-N,3-dimethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106318064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).