2-(3-aminopyrrolidin-1-yl)-N-butylacetamide

C10H21N3O — CID 62067276

IUPAC2-(3-aminopyrrolidin-1-yl)-N-butylacetamide
SMILESCCCCNC(=O)CN1CCC(N)C1
InChIInChI=1S/C10H21N3O/c1-2-3-5-12-10(14)8-13-6-4-9(11)7-13/h9H,2-8,11H2,1H3,(H,12,14)
InChIKeyRPEFEWVLCFFUKH-UHFFFAOYSA-N
MW199.30 g/mol
LogP-0.06
Rot. Bonds5

About 2-(3-aminopyrrolidin-1-yl)-N-butylacetamide

2-(3-aminopyrrolidin-1-yl)-N-butylacetamide (PubChem CID 62067276) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 2-(3-aminopyrrolidin-1-yl)-N-butylacetamide.

Molecular Properties

Compound Name2-(3-aminopyrrolidin-1-yl)-N-butylacetamide
PubChem CID62067276
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name2-(3-aminopyrrolidin-1-yl)-N-butylacetamide
SMILESCCCCNC(=O)CN1CCC(N)C1
InChIInChI=1S/C10H21N3O/c1-2-3-5-12-10(14)8-13-6-4-9(11)7-13/h9H,2-8,11H2,1H3,(H,12,14)
InChIKeyRPEFEWVLCFFUKH-UHFFFAOYSA-N
XLogP-0.06
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 5-0.06
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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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopyrrolidin-1-yl)-N-butylacetamide?
The IUPAC name of 2-(3-aminopyrrolidin-1-yl)-N-butylacetamide (CID 62067276) is 2-(3-aminopyrrolidin-1-yl)-N-butylacetamide.
What is the SMILES notation for 2-(3-aminopyrrolidin-1-yl)-N-butylacetamide?
The canonical SMILES for 2-(3-aminopyrrolidin-1-yl)-N-butylacetamide is CCCCNC(=O)CN1CCC(N)C1.
What is the InChIKey of 2-(3-aminopyrrolidin-1-yl)-N-butylacetamide?
The InChIKey is RPEFEWVLCFFUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-2-3-5-12-10(14)8-13-6-4-9(11)7-13/h9H,2-8,11H2,1H3,(H,12,14).
What are the key properties of 2-(3-aminopyrrolidin-1-yl)-N-butylacetamide?
2-(3-aminopyrrolidin-1-yl)-N-butylacetamide has a molecular weight of 199.30 g/mol, XLogP of -0.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopyrrolidin-1-yl)-N-butylacetamide is sourced from PubChem (CID 62067276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).