3-amino-N-ethyl-N,1-dimethylpyrrolidine-3-carboxamide

C9H19N3O — CID 167773512

IUPAC3-amino-N-ethyl-N,1-dimethylpyrrolidine-3-carboxamide
SMILESCCN(C)C(=O)C1(N)CCN(C)C1
InChIInChI=1S/C9H19N3O/c1-4-12(3)8(13)9(10)5-6-11(2)7-9/h4-7,10H2,1-3H3
InChIKeyXFZIKXZYTCSGHD-UHFFFAOYSA-N
MW185.27 g/mol
LogP-0.50
Rot. Bonds2

About 3-amino-N-ethyl-N,1-dimethylpyrrolidine-3-carboxamide

3-amino-N-ethyl-N,1-dimethylpyrrolidine-3-carboxamide (PubChem CID 167773512) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 3-amino-N-ethyl-N,1-dimethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-amino-N-ethyl-N,1-dimethylpyrrolidine-3-carboxamide
PubChem CID167773512
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name3-amino-N-ethyl-N,1-dimethylpyrrolidine-3-carboxamide
SMILESCCN(C)C(=O)C1(N)CCN(C)C1
InChIInChI=1S/C9H19N3O/c1-4-12(3)8(13)9(10)5-6-11(2)7-9/h4-7,10H2,1-3H3
InChIKeyXFZIKXZYTCSGHD-UHFFFAOYSA-N
XLogP-0.50
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-amino-N-ethyl-N,1-dimethylpyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-N,1-dimethylpyrrolidine-3-carboxamide?
The IUPAC name of 3-amino-N-ethyl-N,1-dimethylpyrrolidine-3-carboxamide (CID 167773512) is 3-amino-N-ethyl-N,1-dimethylpyrrolidine-3-carboxamide.
What is the SMILES notation for 3-amino-N-ethyl-N,1-dimethylpyrrolidine-3-carboxamide?
The canonical SMILES for 3-amino-N-ethyl-N,1-dimethylpyrrolidine-3-carboxamide is CCN(C)C(=O)C1(N)CCN(C)C1.
What is the InChIKey of 3-amino-N-ethyl-N,1-dimethylpyrrolidine-3-carboxamide?
The InChIKey is XFZIKXZYTCSGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-4-12(3)8(13)9(10)5-6-11(2)7-9/h4-7,10H2,1-3H3.
What are the key properties of 3-amino-N-ethyl-N,1-dimethylpyrrolidine-3-carboxamide?
3-amino-N-ethyl-N,1-dimethylpyrrolidine-3-carboxamide has a molecular weight of 185.27 g/mol, XLogP of -0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-N,1-dimethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 167773512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).