N-(3-pyrrolidin-1-ylpropyl)butanamide

C11H22N2O — CID 60668593

IUPACN-(3-pyrrolidin-1-ylpropyl)butanamide
SMILESCCCC(=O)NCCCN1CCCC1
InChIInChI=1S/C11H22N2O/c1-2-6-11(14)12-7-5-10-13-8-3-4-9-13/h2-10H2,1H3,(H,12,14)
InChIKeyZNLMOTYWEVYWFF-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.39
Rot. Bonds6

About N-(3-pyrrolidin-1-ylpropyl)butanamide

N-(3-pyrrolidin-1-ylpropyl)butanamide (PubChem CID 60668593) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is N-(3-pyrrolidin-1-ylpropyl)butanamide.

Molecular Properties

Compound NameN-(3-pyrrolidin-1-ylpropyl)butanamide
PubChem CID60668593
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC NameN-(3-pyrrolidin-1-ylpropyl)butanamide
SMILESCCCC(=O)NCCCN1CCCC1
InChIInChI=1S/C11H22N2O/c1-2-6-11(14)12-7-5-10-13-8-3-4-9-13/h2-10H2,1H3,(H,12,14)
InChIKeyZNLMOTYWEVYWFF-UHFFFAOYSA-N
XLogP1.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-morpholin-4-ylpropyl)butanamide
CID 4162480
3-chloro-N-(3-piperidin-1-ylpropyl)propanamide
CID 43346643
N-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethyl]butanamide
CID 119393390
N-[3-[4-[3-(octadecanoylamino)propyl]piperazin-1-yl]propyl]octadecanamide
CID 54494521
N-(2-piperidin-1-ylethyl)pentanamide
CID 70962894
3-piperidin-1-yl-N-propylpropanamide
CID 110688262
N-[3-(4-ethylpiperazin-1-yl)propyl]pentanamide
CID 144835640
5-oxo-5-(3-piperidin-1-ylpropylamino)pentanoic acid
CID 43579827
3-(tert-butylamino)-N-(3-piperidin-1-ylpropyl)propanamide
CID 60851294
2-(methylamino)-N-(3-piperidin-1-ylpropyl)acetamide
CID 43362949
3-(cyclopropylamino)-N-(3-pyrrolidin-1-ylpropyl)propanamide
CID 60843500
1-octadecyl-3-(3-piperidin-1-ylpropyl)urea
CID 139652296

Frequently Asked Questions

What is the IUPAC name of N-(3-pyrrolidin-1-ylpropyl)butanamide?
The IUPAC name of N-(3-pyrrolidin-1-ylpropyl)butanamide (CID 60668593) is N-(3-pyrrolidin-1-ylpropyl)butanamide.
What is the SMILES notation for N-(3-pyrrolidin-1-ylpropyl)butanamide?
The canonical SMILES for N-(3-pyrrolidin-1-ylpropyl)butanamide is CCCC(=O)NCCCN1CCCC1.
What is the InChIKey of N-(3-pyrrolidin-1-ylpropyl)butanamide?
The InChIKey is ZNLMOTYWEVYWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-2-6-11(14)12-7-5-10-13-8-3-4-9-13/h2-10H2,1H3,(H,12,14).
What are the key properties of N-(3-pyrrolidin-1-ylpropyl)butanamide?
N-(3-pyrrolidin-1-ylpropyl)butanamide has a molecular weight of 198.31 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-pyrrolidin-1-ylpropyl)butanamide is sourced from PubChem (CID 60668593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).