2-(methylamino)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)propanamide

C13H27N3O — CID 62639167

IUPAC2-(methylamino)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)propanamide
SMILESCNC(C)C(=O)NCC(C(C)C)N1CCCC1
InChIInChI=1S/C13H27N3O/c1-10(2)12(16-7-5-6-8-16)9-15-13(17)11(3)14-4/h10-12,14H,5-9H2,1-4H3,(H,15,17)
InChIKeyZIQYLGHGLDTDGT-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.83
Rot. Bonds6

About 2-(methylamino)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)propanamide

2-(methylamino)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)propanamide (PubChem CID 62639167) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 2-(methylamino)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)propanamide.

Molecular Properties

Compound Name2-(methylamino)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)propanamide
PubChem CID62639167
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name2-(methylamino)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)propanamide
SMILESCNC(C)C(=O)NCC(C(C)C)N1CCCC1
InChIInChI=1S/C13H27N3O/c1-10(2)12(16-7-5-6-8-16)9-15-13(17)11(3)14-4/h10-12,14H,5-9H2,1-4H3,(H,15,17)
InChIKeyZIQYLGHGLDTDGT-UHFFFAOYSA-N
XLogP0.83
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 ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dimethyl-4-[(3-methyl-2-pyrrolidin-1-ylbutyl)amino]-4-oxobutanoic acid
CID 103496866
2-(methylamino)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)acetamide
CID 61276217
4-amino-2-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)butanamide
CID 80543957
3-amino-2-methoxy-N-(3-methyl-2-pyrrolidin-1-ylbutyl)propanamide
CID 106112457
3-methyl-N-(3-methyl-2-piperidin-1-ylbutyl)butanamide
CID 110402825
6-amino-2-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)heptanamide
CID 65292407
4-amino-N-(3-methyl-2-pyrrolidin-1-ylbutyl)butanamide
CID 61275431
2,3-dimethyl-4-[(3-methyl-2-pyrrolidin-1-ylbutyl)amino]-4-oxobut-2-enoic acid
CID 76992850
N-(3-methyl-2-pyrrolidin-1-ylbutyl)pentanamide
CID 110402962
1,2-dimethyl-3-(3-methyl-2-pyrrolidin-1-ylbutyl)guanidine;hydroiodide
CID 110927044
3-methyl-5-[(3-methyl-2-pyrrolidin-1-ylbutyl)amino]-5-oxopentanoic acid
CID 62964716
5-amino-4-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)pentanamide
CID 82012268

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)propanamide?
The IUPAC name of 2-(methylamino)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)propanamide (CID 62639167) is 2-(methylamino)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)propanamide.
What is the SMILES notation for 2-(methylamino)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)propanamide?
The canonical SMILES for 2-(methylamino)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)propanamide is CNC(C)C(=O)NCC(C(C)C)N1CCCC1.
What is the InChIKey of 2-(methylamino)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)propanamide?
The InChIKey is ZIQYLGHGLDTDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-10(2)12(16-7-5-6-8-16)9-15-13(17)11(3)14-4/h10-12,14H,5-9H2,1-4H3,(H,15,17).
What are the key properties of 2-(methylamino)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)propanamide?
2-(methylamino)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)propanamide has a molecular weight of 241.38 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)propanamide is sourced from PubChem (CID 62639167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).