N-[1-(diethylamino)propan-2-yl]-4-methylpyrrolidine-3-carboxamide

C13H27N3O — CID 63715172

IUPACN-[1-(diethylamino)propan-2-yl]-4-methylpyrrolidine-3-carboxamide
SMILESCCN(CC)CC(C)NC(=O)C1CNCC1C
InChIInChI=1S/C13H27N3O/c1-5-16(6-2)9-11(4)15-13(17)12-8-14-7-10(12)3/h10-12,14H,5-9H2,1-4H3,(H,15,17)
InChIKeyDMHMDPAITAQUHA-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.69
Rot. Bonds6

About N-[1-(diethylamino)propan-2-yl]-4-methylpyrrolidine-3-carboxamide

N-[1-(diethylamino)propan-2-yl]-4-methylpyrrolidine-3-carboxamide (PubChem CID 63715172) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is N-[1-(diethylamino)propan-2-yl]-4-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(diethylamino)propan-2-yl]-4-methylpyrrolidine-3-carboxamide
PubChem CID63715172
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC NameN-[1-(diethylamino)propan-2-yl]-4-methylpyrrolidine-3-carboxamide
SMILESCCN(CC)CC(C)NC(=O)C1CNCC1C
InChIInChI=1S/C13H27N3O/c1-5-16(6-2)9-11(4)15-13(17)12-8-14-7-10(12)3/h10-12,14H,5-9H2,1-4H3,(H,15,17)
InChIKeyDMHMDPAITAQUHA-UHFFFAOYSA-N
XLogP0.69
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[1-(diethylamino)propan-2-yl]-4-methylpyrrolidine-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

4-methyl-N-pentan-2-ylpyrrolidine-3-carboxamide
CID 63720958
N-(1-hydroxypropan-2-yl)-4-methylpyrrolidine-3-carboxamide
CID 63714919
(3S,4S)-N-(1-hydroxypropan-2-yl)-4-methylpyrrolidine-3-carboxamide;hydrochloride
CID 130719913
N-[(2S)-1-aminopropan-2-yl]-4-methylpyrrolidine-3-carboxamide
CID 130778578
N-[4-(dimethylamino)butan-2-yl]-4-methylpyrrolidine-3-carboxamide
CID 63714179
4-methyl-N-octan-2-ylpyrrolidine-3-carboxamide
CID 63714459
N-(4-ethylsulfanylbutan-2-yl)-4-methylpyrrolidine-3-carboxamide
CID 115747672
2-[1-(diethylamino)propan-2-ylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103978652
N-(3-ethylpentan-2-yl)-4-methylpyrrolidine-3-carboxamide
CID 63843859
(3R,4S)-N-[1-(diethylamino)propan-2-yl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;dihydrochloride
CID 120939840
(3S,4S)-N-[1-(dimethylamino)-4-methylpentan-2-yl]-4-methylpyrrolidine-3-carboxamide
CID 114084712
N-[1-(dimethylamino)-1-oxopropan-2-yl]-4-methylpyrrolidine-3-carboxamide
CID 63715088

Frequently Asked Questions

What is the IUPAC name of N-[1-(diethylamino)propan-2-yl]-4-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-[1-(diethylamino)propan-2-yl]-4-methylpyrrolidine-3-carboxamide (CID 63715172) is N-[1-(diethylamino)propan-2-yl]-4-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[1-(diethylamino)propan-2-yl]-4-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[1-(diethylamino)propan-2-yl]-4-methylpyrrolidine-3-carboxamide is CCN(CC)CC(C)NC(=O)C1CNCC1C.
What is the InChIKey of N-[1-(diethylamino)propan-2-yl]-4-methylpyrrolidine-3-carboxamide?
The InChIKey is DMHMDPAITAQUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-5-16(6-2)9-11(4)15-13(17)12-8-14-7-10(12)3/h10-12,14H,5-9H2,1-4H3,(H,15,17).
What are the key properties of N-[1-(diethylamino)propan-2-yl]-4-methylpyrrolidine-3-carboxamide?
N-[1-(diethylamino)propan-2-yl]-4-methylpyrrolidine-3-carboxamide has a molecular weight of 241.38 g/mol, XLogP of 0.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(diethylamino)propan-2-yl]-4-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 63715172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).