4-amino-N-(3-methyl-2-pyrrolidin-1-ylbutyl)butanamide

C13H27N3O — CID 61275431

IUPAC4-amino-N-(3-methyl-2-pyrrolidin-1-ylbutyl)butanamide
SMILESCC(C)C(CNC(=O)CCCN)N1CCCC1
InChIInChI=1S/C13H27N3O/c1-11(2)12(16-8-3-4-9-16)10-15-13(17)6-5-7-14/h11-12H,3-10,14H2,1-2H3,(H,15,17)
InChIKeyWZENZOVCZHVAHH-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.96
Rot. Bonds7

About 4-amino-N-(3-methyl-2-pyrrolidin-1-ylbutyl)butanamide

4-amino-N-(3-methyl-2-pyrrolidin-1-ylbutyl)butanamide (PubChem CID 61275431) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 4-amino-N-(3-methyl-2-pyrrolidin-1-ylbutyl)butanamide.

Molecular Properties

Compound Name4-amino-N-(3-methyl-2-pyrrolidin-1-ylbutyl)butanamide
PubChem CID61275431
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name4-amino-N-(3-methyl-2-pyrrolidin-1-ylbutyl)butanamide
SMILESCC(C)C(CNC(=O)CCCN)N1CCCC1
InChIInChI=1S/C13H27N3O/c1-11(2)12(16-8-3-4-9-16)10-15-13(17)6-5-7-14/h11-12H,3-10,14H2,1-2H3,(H,15,17)
InChIKeyWZENZOVCZHVAHH-UHFFFAOYSA-N
XLogP0.96
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methyl-2-pyrrolidin-1-ylbutyl)pentanamide
CID 110402962
5-amino-4-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)pentanamide
CID 82012268
3-(tert-butylamino)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)propanamide
CID 61276030
2-(methylamino)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)acetamide
CID 61276217
3-methyl-N-(3-methyl-2-piperidin-1-ylbutyl)butanamide
CID 110402825
4-amino-2-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)butanamide
CID 80543957
4-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)butanamide
CID 62060306
1-(aminomethyl)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)cyclobutane-1-carboxamide
CID 115448375
4-chloro-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]butanamide
CID 55204260
3-methyl-5-[(3-methyl-2-pyrrolidin-1-ylbutyl)amino]-5-oxopentanoic acid
CID 62964716
7-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)heptanamide
CID 62060956
3-amino-2-methoxy-N-(3-methyl-2-pyrrolidin-1-ylbutyl)propanamide
CID 106112457

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-methyl-2-pyrrolidin-1-ylbutyl)butanamide?
The IUPAC name of 4-amino-N-(3-methyl-2-pyrrolidin-1-ylbutyl)butanamide (CID 61275431) is 4-amino-N-(3-methyl-2-pyrrolidin-1-ylbutyl)butanamide.
What is the SMILES notation for 4-amino-N-(3-methyl-2-pyrrolidin-1-ylbutyl)butanamide?
The canonical SMILES for 4-amino-N-(3-methyl-2-pyrrolidin-1-ylbutyl)butanamide is CC(C)C(CNC(=O)CCCN)N1CCCC1.
What is the InChIKey of 4-amino-N-(3-methyl-2-pyrrolidin-1-ylbutyl)butanamide?
The InChIKey is WZENZOVCZHVAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-11(2)12(16-8-3-4-9-16)10-15-13(17)6-5-7-14/h11-12H,3-10,14H2,1-2H3,(H,15,17).
What are the key properties of 4-amino-N-(3-methyl-2-pyrrolidin-1-ylbutyl)butanamide?
4-amino-N-(3-methyl-2-pyrrolidin-1-ylbutyl)butanamide has a molecular weight of 241.38 g/mol, XLogP of 0.96, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-methyl-2-pyrrolidin-1-ylbutyl)butanamide is sourced from PubChem (CID 61275431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).