2-(methylamino)-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanamide

C13H26N4O — CID 55159335

IUPAC2-(methylamino)-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanamide
SMILESCNC(CCN1CCC(N2CCCC2)C1)C(N)=O
InChIInChI=1S/C13H26N4O/c1-15-12(13(14)18)5-9-16-8-4-11(10-16)17-6-2-3-7-17/h11-12,15H,2-10H2,1H3,(H2,14,18)
InChIKeyPTXJUXCJAYXLBE-UHFFFAOYSA-N
MW254.38 g/mol
LogP-0.38
Rot. Bonds6

About 2-(methylamino)-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanamide

2-(methylamino)-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanamide (PubChem CID 55159335) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is 2-(methylamino)-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanamide.

Molecular Properties

Compound Name2-(methylamino)-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanamide
PubChem CID55159335
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC Name2-(methylamino)-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanamide
SMILESCNC(CCN1CCC(N2CCCC2)C1)C(N)=O
InChIInChI=1S/C13H26N4O/c1-15-12(13(14)18)5-9-16-8-4-11(10-16)17-6-2-3-7-17/h11-12,15H,2-10H2,1H3,(H2,14,18)
InChIKeyPTXJUXCJAYXLBE-UHFFFAOYSA-N
XLogP-0.38
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(methylamino)-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanamide 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

2-(methylamino)-4-(4-piperidin-1-ylpiperidin-1-yl)butanamide
CID 63054591
3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-2-(methylamino)propanamide
CID 63151183
4-[4-(dimethylamino)piperidin-1-yl]-2-(methylamino)butanamide
CID 63028069
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(methylamino)butanamide
CID 115561507
ethyl 2-(methylamino)-4-(3-morpholin-4-ylpyrrolidin-1-yl)butanoate
CID 63171014
3-(3-piperidin-1-ylpyrrolidin-1-yl)propanamide
CID 63171229
2-(ethylamino)-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butanamide
CID 79175374
4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-methylbutan-2-amine
CID 79932112
1-[1-(3-methylbutyl)pyrrolidin-3-yl]piperidine
CID 155151188
N-methyl-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-amine
CID 63166994
2-amino-4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)butanamide
CID 63151182
2-(ethylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanoic acid
CID 63165353

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanamide?
The IUPAC name of 2-(methylamino)-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanamide (CID 55159335) is 2-(methylamino)-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanamide.
What is the SMILES notation for 2-(methylamino)-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanamide?
The canonical SMILES for 2-(methylamino)-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanamide is CNC(CCN1CCC(N2CCCC2)C1)C(N)=O.
What is the InChIKey of 2-(methylamino)-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanamide?
The InChIKey is PTXJUXCJAYXLBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c1-15-12(13(14)18)5-9-16-8-4-11(10-16)17-6-2-3-7-17/h11-12,15H,2-10H2,1H3,(H2,14,18).
What are the key properties of 2-(methylamino)-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanamide?
2-(methylamino)-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanamide has a molecular weight of 254.38 g/mol, XLogP of -0.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanamide is sourced from PubChem (CID 55159335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).