2-amino-N-(3-ethyl-2-pyrrolidin-1-ylpentyl)acetamide

C13H27N3O — CID 119842219

IUPAC2-amino-N-(3-ethyl-2-pyrrolidin-1-ylpentyl)acetamide
SMILESCCC(CC)C(CNC(=O)CN)N1CCCC1
InChIInChI=1S/C13H27N3O/c1-3-11(4-2)12(10-15-13(17)9-14)16-7-5-6-8-16/h11-12H,3-10,14H2,1-2H3,(H,15,17)
InChIKeyYKUBMHOLTODBHQ-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.96
Rot. Bonds7

About 2-amino-N-(3-ethyl-2-pyrrolidin-1-ylpentyl)acetamide

2-amino-N-(3-ethyl-2-pyrrolidin-1-ylpentyl)acetamide (PubChem CID 119842219) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 2-amino-N-(3-ethyl-2-pyrrolidin-1-ylpentyl)acetamide.

Molecular Properties

Compound Name2-amino-N-(3-ethyl-2-pyrrolidin-1-ylpentyl)acetamide
PubChem CID119842219
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name2-amino-N-(3-ethyl-2-pyrrolidin-1-ylpentyl)acetamide
SMILESCCC(CC)C(CNC(=O)CN)N1CCCC1
InChIInChI=1S/C13H27N3O/c1-3-11(4-2)12(10-15-13(17)9-14)16-7-5-6-8-16/h11-12H,3-10,14H2,1-2H3,(H,15,17)
InChIKeyYKUBMHOLTODBHQ-UHFFFAOYSA-N
XLogP0.96
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 ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-ethyl-2-pyrrolidin-1-ylpentyl)acetamide?
The IUPAC name of 2-amino-N-(3-ethyl-2-pyrrolidin-1-ylpentyl)acetamide (CID 119842219) is 2-amino-N-(3-ethyl-2-pyrrolidin-1-ylpentyl)acetamide.
What is the SMILES notation for 2-amino-N-(3-ethyl-2-pyrrolidin-1-ylpentyl)acetamide?
The canonical SMILES for 2-amino-N-(3-ethyl-2-pyrrolidin-1-ylpentyl)acetamide is CCC(CC)C(CNC(=O)CN)N1CCCC1.
What is the InChIKey of 2-amino-N-(3-ethyl-2-pyrrolidin-1-ylpentyl)acetamide?
The InChIKey is YKUBMHOLTODBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-3-11(4-2)12(10-15-13(17)9-14)16-7-5-6-8-16/h11-12H,3-10,14H2,1-2H3,(H,15,17).
What are the key properties of 2-amino-N-(3-ethyl-2-pyrrolidin-1-ylpentyl)acetamide?
2-amino-N-(3-ethyl-2-pyrrolidin-1-ylpentyl)acetamide has a molecular weight of 241.38 g/mol, XLogP of 0.96, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-ethyl-2-pyrrolidin-1-ylpentyl)acetamide is sourced from PubChem (CID 119842219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).