N-(3-amino-2-methylpropyl)-4-(1-methylpyrrolidin-3-yl)butanamide

C13H27N3O — CID 115271802

IUPACN-(3-amino-2-methylpropyl)-4-(1-methylpyrrolidin-3-yl)butanamide
SMILESCC(CN)CNC(=O)CCCC1CCN(C)C1
InChIInChI=1S/C13H27N3O/c1-11(8-14)9-15-13(17)5-3-4-12-6-7-16(2)10-12/h11-12H,3-10,14H2,1-2H3,(H,15,17)
InChIKeyLCUOXRUQCAIJNA-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.82
Rot. Bonds7

About N-(3-amino-2-methylpropyl)-4-(1-methylpyrrolidin-3-yl)butanamide

N-(3-amino-2-methylpropyl)-4-(1-methylpyrrolidin-3-yl)butanamide (PubChem CID 115271802) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-4-(1-methylpyrrolidin-3-yl)butanamide.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-4-(1-methylpyrrolidin-3-yl)butanamide
PubChem CID115271802
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC NameN-(3-amino-2-methylpropyl)-4-(1-methylpyrrolidin-3-yl)butanamide
SMILESCC(CN)CNC(=O)CCCC1CCN(C)C1
InChIInChI=1S/C13H27N3O/c1-11(8-14)9-15-13(17)5-3-4-12-6-7-16(2)10-12/h11-12H,3-10,14H2,1-2H3,(H,15,17)
InChIKeyLCUOXRUQCAIJNA-UHFFFAOYSA-N
XLogP0.82
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 ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-3-(1-methylpyrrolidin-3-yl)propanamide
CID 115271090
N-(3-amino-2-methylpropyl)-2-cyclopropylacetamide
CID 62667808
N-(3-amino-2-methylpropyl)-N-methyl-3-(1-methylpyrrolidin-3-yl)propanamide
CID 115272506
N-methyl-4-(1-methylpyrrolidin-3-yl)butanehydrazide
CID 116845186
4-amino-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide;dihydrochloride
CID 119865945
4-[2-(1-methylpyrrolidin-3-yl)ethylamino]-4-oxobutanoic acid
CID 115163740
N-(3-amino-2-methylpropyl)-N',N'-dimethylpentanediamide
CID 119997509
5-(1-methylpyrrolidin-3-yl)pentan-2-amine
CID 116925099
5-amino-4-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pentanamide
CID 82012433
5-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-methylpentanamide
CID 82688861
3-amino-N-[2-(1-methylpiperidin-3-yl)ethyl]propanamide
CID 115153050
N-(3-amino-2-methylpropyl)-3-(5-methyloxolan-2-yl)propanamide;hydrochloride
CID 119998020

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-4-(1-methylpyrrolidin-3-yl)butanamide?
The IUPAC name of N-(3-amino-2-methylpropyl)-4-(1-methylpyrrolidin-3-yl)butanamide (CID 115271802) is N-(3-amino-2-methylpropyl)-4-(1-methylpyrrolidin-3-yl)butanamide.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-4-(1-methylpyrrolidin-3-yl)butanamide?
The canonical SMILES for N-(3-amino-2-methylpropyl)-4-(1-methylpyrrolidin-3-yl)butanamide is CC(CN)CNC(=O)CCCC1CCN(C)C1.
What is the InChIKey of N-(3-amino-2-methylpropyl)-4-(1-methylpyrrolidin-3-yl)butanamide?
The InChIKey is LCUOXRUQCAIJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-11(8-14)9-15-13(17)5-3-4-12-6-7-16(2)10-12/h11-12H,3-10,14H2,1-2H3,(H,15,17).
What are the key properties of N-(3-amino-2-methylpropyl)-4-(1-methylpyrrolidin-3-yl)butanamide?
N-(3-amino-2-methylpropyl)-4-(1-methylpyrrolidin-3-yl)butanamide has a molecular weight of 241.38 g/mol, XLogP of 0.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-4-(1-methylpyrrolidin-3-yl)butanamide is sourced from PubChem (CID 115271802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).