N-(3-methyl-2-pyrrolidin-1-ylbutyl)pentanamide

C14H28N2O — CID 110402962

IUPACN-(3-methyl-2-pyrrolidin-1-ylbutyl)pentanamide
SMILESCCCCC(=O)NCC(C(C)C)N1CCCC1
InChIInChI=1S/C14H28N2O/c1-4-5-8-14(17)15-11-13(12(2)3)16-9-6-7-10-16/h12-13H,4-11H2,1-3H3,(H,15,17)
InChIKeyKLEIQLCVJQYABI-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.41
Rot. Bonds7

About N-(3-methyl-2-pyrrolidin-1-ylbutyl)pentanamide

N-(3-methyl-2-pyrrolidin-1-ylbutyl)pentanamide (PubChem CID 110402962) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N-(3-methyl-2-pyrrolidin-1-ylbutyl)pentanamide.

Molecular Properties

Compound NameN-(3-methyl-2-pyrrolidin-1-ylbutyl)pentanamide
PubChem CID110402962
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN-(3-methyl-2-pyrrolidin-1-ylbutyl)pentanamide
SMILESCCCCC(=O)NCC(C(C)C)N1CCCC1
InChIInChI=1S/C14H28N2O/c1-4-5-8-14(17)15-11-13(12(2)3)16-9-6-7-10-16/h12-13H,4-11H2,1-3H3,(H,15,17)
InChIKeyKLEIQLCVJQYABI-UHFFFAOYSA-N
XLogP2.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-(3-methyl-2-pyrrolidin-1-ylbutyl)butanamide
CID 61275431
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-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
3-[[N-[2-(azepan-1-yl)-3-methylbutyl]-N'-methylcarbamimidoyl]amino]-N-propylpropanamide
CID 111937427
N-(3-methyl-2-pyrrolidin-1-ylbutyl)butane-1-sulfonamide
CID 110403035
2-(methylamino)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)propanamide
CID 62639167
N-(3-methyl-2-piperidin-1-ylbutyl)butane-1-sulfonamide
CID 110402901
4-(methylamino)-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]butanamide;dihydrochloride
CID 119849813

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-pyrrolidin-1-ylbutyl)pentanamide?
The IUPAC name of N-(3-methyl-2-pyrrolidin-1-ylbutyl)pentanamide (CID 110402962) is N-(3-methyl-2-pyrrolidin-1-ylbutyl)pentanamide.
What is the SMILES notation for N-(3-methyl-2-pyrrolidin-1-ylbutyl)pentanamide?
The canonical SMILES for N-(3-methyl-2-pyrrolidin-1-ylbutyl)pentanamide is CCCCC(=O)NCC(C(C)C)N1CCCC1.
What is the InChIKey of N-(3-methyl-2-pyrrolidin-1-ylbutyl)pentanamide?
The InChIKey is KLEIQLCVJQYABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-4-5-8-14(17)15-11-13(12(2)3)16-9-6-7-10-16/h12-13H,4-11H2,1-3H3,(H,15,17).
What are the key properties of N-(3-methyl-2-pyrrolidin-1-ylbutyl)pentanamide?
N-(3-methyl-2-pyrrolidin-1-ylbutyl)pentanamide has a molecular weight of 240.39 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-pyrrolidin-1-ylbutyl)pentanamide is sourced from PubChem (CID 110402962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).