1-methyl-N-[2-(methylamino)ethyl]pyrrolidine-3-carboxamide

C9H19N3O — CID 62656990

IUPAC1-methyl-N-[2-(methylamino)ethyl]pyrrolidine-3-carboxamide
SMILESCNCCNC(=O)C1CCN(C)C1
InChIInChI=1S/C9H19N3O/c1-10-4-5-11-9(13)8-3-6-12(2)7-8/h8,10H,3-7H2,1-2H3,(H,11,13)
InChIKeyUAFVJBYPBBQSQN-UHFFFAOYSA-N
MW185.27 g/mol
LogP-0.73
Rot. Bonds4

About 1-methyl-N-[2-(methylamino)ethyl]pyrrolidine-3-carboxamide

1-methyl-N-[2-(methylamino)ethyl]pyrrolidine-3-carboxamide (PubChem CID 62656990) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-methyl-N-[2-(methylamino)ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-(methylamino)ethyl]pyrrolidine-3-carboxamide
PubChem CID62656990
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name1-methyl-N-[2-(methylamino)ethyl]pyrrolidine-3-carboxamide
SMILESCNCCNC(=O)C1CCN(C)C1
InChIInChI=1S/C9H19N3O/c1-10-4-5-11-9(13)8-3-6-12(2)7-8/h8,10H,3-7H2,1-2H3,(H,11,13)
InChIKeyUAFVJBYPBBQSQN-UHFFFAOYSA-N
XLogP-0.73
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 5-0.73
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-[2-(dimethylamino)ethyl]-1-methylpyrrolidine-3-carboxamide
CID 110849594
2-methyl-4-[(1-methylpyrrolidine-3-carbonyl)amino]butanoic acid
CID 80539207
3-(methylamino)-1-(1-methylpyrrolidin-3-yl)propan-1-one
CID 116915463
6-[(1-methylpyrrolidine-3-carbonyl)amino]hexanoic acid
CID 54938980
ethane;1-methyl-N-[2-[2-(methylamino)ethoxy]ethyl]piperidine-4-carboxamide
CID 177054985
N-[2-(methylamino)ethyl]cyclobutanecarboxamide
CID 62659847
N-[2-(4-fluorophenyl)ethyl]-1-methylpyrrolidine-3-carboxamide
CID 110852538
N-[2-(4-chlorophenyl)ethyl]-1-methylpyrrolidine-3-carboxamide
CID 110853463
N-(2-aminoethyl)-1-methylpiperidine-4-carboxamide
CID 53215741
(3S)-1-methyl-N-(3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide
CID 95903528
3-methyl-2-[[(1-methylpyrrolidine-3-carbonyl)amino]methyl]butanoic acid
CID 65219948
N-[2-(methylamino)ethyl]piperidine-4-carboxamide
CID 118234588

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-(methylamino)ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-methyl-N-[2-(methylamino)ethyl]pyrrolidine-3-carboxamide (CID 62656990) is 1-methyl-N-[2-(methylamino)ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[2-(methylamino)ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-methyl-N-[2-(methylamino)ethyl]pyrrolidine-3-carboxamide is CNCCNC(=O)C1CCN(C)C1.
What is the InChIKey of 1-methyl-N-[2-(methylamino)ethyl]pyrrolidine-3-carboxamide?
The InChIKey is UAFVJBYPBBQSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-10-4-5-11-9(13)8-3-6-12(2)7-8/h8,10H,3-7H2,1-2H3,(H,11,13).
What are the key properties of 1-methyl-N-[2-(methylamino)ethyl]pyrrolidine-3-carboxamide?
1-methyl-N-[2-(methylamino)ethyl]pyrrolidine-3-carboxamide has a molecular weight of 185.27 g/mol, XLogP of -0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-(methylamino)ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 62656990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).