2-amino-3-methyl-N-(3-pyrrolidin-1-ylpropyl)pentanamide

C13H27N3O — CID 43362927

IUPAC2-amino-3-methyl-N-(3-pyrrolidin-1-ylpropyl)pentanamide
SMILESCCC(C)C(N)C(=O)NCCCN1CCCC1
InChIInChI=1S/C13H27N3O/c1-3-11(2)12(14)13(17)15-7-6-10-16-8-4-5-9-16/h11-12H,3-10,14H2,1-2H3,(H,15,17)
InChIKeyNMOJBYMXWNIQEV-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.96
Rot. Bonds7

About 2-amino-3-methyl-N-(3-pyrrolidin-1-ylpropyl)pentanamide

2-amino-3-methyl-N-(3-pyrrolidin-1-ylpropyl)pentanamide (PubChem CID 43362927) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 2-amino-3-methyl-N-(3-pyrrolidin-1-ylpropyl)pentanamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-(3-pyrrolidin-1-ylpropyl)pentanamide
PubChem CID43362927
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name2-amino-3-methyl-N-(3-pyrrolidin-1-ylpropyl)pentanamide
SMILESCCC(C)C(N)C(=O)NCCCN1CCCC1
InChIInChI=1S/C13H27N3O/c1-3-11(2)12(14)13(17)15-7-6-10-16-8-4-5-9-16/h11-12H,3-10,14H2,1-2H3,(H,15,17)
InChIKeyNMOJBYMXWNIQEV-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

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-methyl-N-(2-piperidin-1-ylethyl)pentanamide
CID 54967720
3-amino-2-methyl-N-(3-piperidin-1-ylpropyl)butanamide;dihydrochloride
CID 120502610
(2S,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;sulfuric acid
CID 67172232
(2S)-2-amino-3-methyl-N-pentylpentanamide
CID 22690936
2-amino-3-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)pentanamide
CID 115738343
(2S)-2-amino-4-methyl-N-(3-piperidin-1-ylpropyl)pentanamide;dihydrochloride
CID 119835548
bis((2S,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide);oxalic acid
CID 134229716
3-amino-2-methyl-N-(3-pyrrolidin-1-ylpropyl)-3-sulfanylidenepropanamide
CID 62993392
(2R)-2-amino-3,3-dimethyl-N-(3-piperidin-1-ylpropyl)butanamide
CID 103928449
(2S)-2-amino-3-methyl-N-octadecylpentanamide
CID 58604652
(2S)-2-amino-N-(4-hydroxybutyl)-3-methylpentanamide
CID 87554780
2-amino-3-methyl-N-(3-methylsulfinylpropyl)pentanamide
CID 115739288

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-(3-pyrrolidin-1-ylpropyl)pentanamide?
The IUPAC name of 2-amino-3-methyl-N-(3-pyrrolidin-1-ylpropyl)pentanamide (CID 43362927) is 2-amino-3-methyl-N-(3-pyrrolidin-1-ylpropyl)pentanamide.
What is the SMILES notation for 2-amino-3-methyl-N-(3-pyrrolidin-1-ylpropyl)pentanamide?
The canonical SMILES for 2-amino-3-methyl-N-(3-pyrrolidin-1-ylpropyl)pentanamide is CCC(C)C(N)C(=O)NCCCN1CCCC1.
What is the InChIKey of 2-amino-3-methyl-N-(3-pyrrolidin-1-ylpropyl)pentanamide?
The InChIKey is NMOJBYMXWNIQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-3-11(2)12(14)13(17)15-7-6-10-16-8-4-5-9-16/h11-12H,3-10,14H2,1-2H3,(H,15,17).
What are the key properties of 2-amino-3-methyl-N-(3-pyrrolidin-1-ylpropyl)pentanamide?
2-amino-3-methyl-N-(3-pyrrolidin-1-ylpropyl)pentanamide 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 2-amino-3-methyl-N-(3-pyrrolidin-1-ylpropyl)pentanamide is sourced from PubChem (CID 43362927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).