N-(3-methylbutyl)-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propanamide

C16H31N3O — CID 62275455

IUPACN-(3-methylbutyl)-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propanamide
SMILESCC(C)CCNC(=O)C(C)N1CCCC1C1CCCN1
InChIInChI=1S/C16H31N3O/c1-12(2)8-10-18-16(20)13(3)19-11-5-7-15(19)14-6-4-9-17-14/h12-15,17H,4-11H2,1-3H3,(H,18,20)
InChIKeyDAVHVYRXBNPCSE-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.75
Rot. Bonds6

About N-(3-methylbutyl)-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propanamide

N-(3-methylbutyl)-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propanamide (PubChem CID 62275455) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propanamide
PubChem CID62275455
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC NameN-(3-methylbutyl)-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propanamide
SMILESCC(C)CCNC(=O)C(C)N1CCCC1C1CCCN1
InChIInChI=1S/C16H31N3O/c1-12(2)8-10-18-16(20)13(3)19-11-5-7-15(19)14-6-4-9-17-14/h12-15,17H,4-11H2,1-3H3,(H,18,20)
InChIKeyDAVHVYRXBNPCSE-UHFFFAOYSA-N
XLogP1.75
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propanamide
CID 62275284
N-(furan-2-ylmethyl)-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propanamide
CID 62274448
N-(3-methylbutyl)-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)acetamide
CID 62273730
1-heptan-4-yl-2-pyrrolidin-2-ylpyrrolidine
CID 62274223
3-methyl-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)butan-1-one
CID 62275584
N-butyl-2-(2-piperidin-3-ylpyrrolidin-1-yl)propanamide
CID 66272366
1-propan-2-yl-2-pyrrolidin-2-ylpiperidine
CID 63256346
1-nonan-2-yl-2-pyrrolidin-2-ylpyrrolidine
CID 55053955
ethyl 2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)butanoate
CID 64663187
1-heptan-2-yl-2-pyrrolidin-2-ylpiperidine
CID 80557844
2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-N-(2-methylpropyl)propanamide
CID 102682398
2-[3-(1-aminoethyl)piperidin-1-yl]-N-(3-methylbutyl)propanamide
CID 55258927

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propanamide?
The IUPAC name of N-(3-methylbutyl)-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propanamide (CID 62275455) is N-(3-methylbutyl)-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propanamide.
What is the SMILES notation for N-(3-methylbutyl)-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propanamide?
The canonical SMILES for N-(3-methylbutyl)-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propanamide is CC(C)CCNC(=O)C(C)N1CCCC1C1CCCN1.
What is the InChIKey of N-(3-methylbutyl)-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propanamide?
The InChIKey is DAVHVYRXBNPCSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-12(2)8-10-18-16(20)13(3)19-11-5-7-15(19)14-6-4-9-17-14/h12-15,17H,4-11H2,1-3H3,(H,18,20).
What are the key properties of N-(3-methylbutyl)-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propanamide?
N-(3-methylbutyl)-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propanamide has a molecular weight of 281.44 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propanamide is sourced from PubChem (CID 62275455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).