2-(1-aminocyclopentyl)-N-(2-cyanoethyl)-N-propan-2-ylacetamide

C13H23N3O — CID 64685385

IUPAC2-(1-aminocyclopentyl)-N-(2-cyanoethyl)-N-propan-2-ylacetamide
SMILESCC(C)N(CCC#N)C(=O)CC1(N)CCCC1
InChIInChI=1S/C13H23N3O/c1-11(2)16(9-5-8-14)12(17)10-13(15)6-3-4-7-13/h11H,3-7,9-10,15H2,1-2H3
InChIKeyJUGIYMSKIIRPMF-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.80
Rot. Bonds5

About 2-(1-aminocyclopentyl)-N-(2-cyanoethyl)-N-propan-2-ylacetamide

2-(1-aminocyclopentyl)-N-(2-cyanoethyl)-N-propan-2-ylacetamide (PubChem CID 64685385) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-(1-aminocyclopentyl)-N-(2-cyanoethyl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(1-aminocyclopentyl)-N-(2-cyanoethyl)-N-propan-2-ylacetamide
PubChem CID64685385
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-(1-aminocyclopentyl)-N-(2-cyanoethyl)-N-propan-2-ylacetamide
SMILESCC(C)N(CCC#N)C(=O)CC1(N)CCCC1
InChIInChI=1S/C13H23N3O/c1-11(2)16(9-5-8-14)12(17)10-13(15)6-3-4-7-13/h11H,3-7,9-10,15H2,1-2H3
InChIKeyJUGIYMSKIIRPMF-UHFFFAOYSA-N
XLogP1.80
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclopentyl)-N-(2-cyanoethyl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(1-aminocyclopentyl)-N-(2-cyanoethyl)-N-propan-2-ylacetamide (CID 64685385) is 2-(1-aminocyclopentyl)-N-(2-cyanoethyl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(1-aminocyclopentyl)-N-(2-cyanoethyl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(1-aminocyclopentyl)-N-(2-cyanoethyl)-N-propan-2-ylacetamide is CC(C)N(CCC#N)C(=O)CC1(N)CCCC1.
What is the InChIKey of 2-(1-aminocyclopentyl)-N-(2-cyanoethyl)-N-propan-2-ylacetamide?
The InChIKey is JUGIYMSKIIRPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-11(2)16(9-5-8-14)12(17)10-13(15)6-3-4-7-13/h11H,3-7,9-10,15H2,1-2H3.
What are the key properties of 2-(1-aminocyclopentyl)-N-(2-cyanoethyl)-N-propan-2-ylacetamide?
2-(1-aminocyclopentyl)-N-(2-cyanoethyl)-N-propan-2-ylacetamide has a molecular weight of 237.35 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclopentyl)-N-(2-cyanoethyl)-N-propan-2-ylacetamide is sourced from PubChem (CID 64685385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).