N-[4-(diethylamino)butyl]pyrrolidine-3-carboxamide

C13H27N3O — CID 119852584

IUPACN-[4-(diethylamino)butyl]pyrrolidine-3-carboxamide
SMILESCCN(CC)CCCCNC(=O)C1CCNC1
InChIInChI=1S/C13H27N3O/c1-3-16(4-2)10-6-5-8-15-13(17)12-7-9-14-11-12/h12,14H,3-11H2,1-2H3,(H,15,17)
InChIKeySEPMCZYPCGWNOV-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.83
Rot. Bonds8

About N-[4-(diethylamino)butyl]pyrrolidine-3-carboxamide

N-[4-(diethylamino)butyl]pyrrolidine-3-carboxamide (PubChem CID 119852584) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is N-[4-(diethylamino)butyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylamino)butyl]pyrrolidine-3-carboxamide
PubChem CID119852584
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC NameN-[4-(diethylamino)butyl]pyrrolidine-3-carboxamide
SMILESCCN(CC)CCCCNC(=O)C1CCNC1
InChIInChI=1S/C13H27N3O/c1-3-16(4-2)10-6-5-8-15-13(17)12-7-9-14-11-12/h12,14H,3-11H2,1-2H3,(H,15,17)
InChIKeySEPMCZYPCGWNOV-UHFFFAOYSA-N
XLogP0.83
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[4-(diethylamino)butyl]pyrrolidine-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

Related Compounds

N-[4-(diethylamino)butyl]piperidine-4-carboxamide;dihydrochloride
CID 119852526
N-tetradecylpyrrolidine-3-carboxamide;hydrochloride
CID 154586688
N-(5-amino-5-oxopentyl)pyrrolidine-3-carboxamide
CID 106235636
7-(pyrrolidine-3-carbonylamino)heptanoic acid
CID 63005734
N-hex-5-ynylpyrrolidine-3-carboxamide
CID 106213094
N-[3-(N-ethylanilino)propyl]pyrrolidine-3-carboxamide
CID 63005189
4-[3-(diethylamino)propylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63783797
N-[2-[butan-2-yl(methyl)amino]ethyl]pyrrolidine-3-carboxamide
CID 103814267
N-[4-(diethylamino)-4-oxobutyl]piperidine-4-carboxamide
CID 119291998
N-[4-(4-methylpiperidin-1-yl)butyl]pyrrolidine-3-carboxamide
CID 119852455
N-(4,4,4-trifluorobutyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119781584
N-(2-fluoroethyl)pyrrolidine-3-carboxamide
CID 76624204

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)butyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[4-(diethylamino)butyl]pyrrolidine-3-carboxamide (CID 119852584) is N-[4-(diethylamino)butyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[4-(diethylamino)butyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[4-(diethylamino)butyl]pyrrolidine-3-carboxamide is CCN(CC)CCCCNC(=O)C1CCNC1.
What is the InChIKey of N-[4-(diethylamino)butyl]pyrrolidine-3-carboxamide?
The InChIKey is SEPMCZYPCGWNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-3-16(4-2)10-6-5-8-15-13(17)12-7-9-14-11-12/h12,14H,3-11H2,1-2H3,(H,15,17).
What are the key properties of N-[4-(diethylamino)butyl]pyrrolidine-3-carboxamide?
N-[4-(diethylamino)butyl]pyrrolidine-3-carboxamide has a molecular weight of 241.38 g/mol, XLogP of 0.83, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)butyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 119852584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).