2-[ethyl(pyrrolidin-3-yl)amino]-N-pentan-3-ylacetamide

C13H27N3O — CID 63300371

IUPAC2-[ethyl(pyrrolidin-3-yl)amino]-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CN(CC)C1CCNC1
InChIInChI=1S/C13H27N3O/c1-4-11(5-2)15-13(17)10-16(6-3)12-7-8-14-9-12/h11-12,14H,4-10H2,1-3H3,(H,15,17)
InChIKeyWWYKSWPITMJIIK-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.98
Rot. Bonds7

About 2-[ethyl(pyrrolidin-3-yl)amino]-N-pentan-3-ylacetamide

2-[ethyl(pyrrolidin-3-yl)amino]-N-pentan-3-ylacetamide (PubChem CID 63300371) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 2-[ethyl(pyrrolidin-3-yl)amino]-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-[ethyl(pyrrolidin-3-yl)amino]-N-pentan-3-ylacetamide
PubChem CID63300371
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name2-[ethyl(pyrrolidin-3-yl)amino]-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CN(CC)C1CCNC1
InChIInChI=1S/C13H27N3O/c1-4-11(5-2)15-13(17)10-16(6-3)12-7-8-14-9-12/h11-12,14H,4-10H2,1-3H3,(H,15,17)
InChIKeyWWYKSWPITMJIIK-UHFFFAOYSA-N
XLogP0.98
TPSA44.37 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 ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-2-[ethyl(pyrrolidin-3-yl)amino]acetamide
CID 63300316
2-[ethyl(pyrrolidin-3-yl)amino]-N-(6-methylheptan-2-yl)acetamide
CID 63299866
N-butan-2-yl-2-[ethyl(piperidin-4-yl)amino]acetamide
CID 60805793
N-butyl-2-[ethyl(pyrrolidin-3-yl)amino]acetamide
CID 63300417
N-pentan-3-yl-2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]acetamide
CID 64850427
N-propan-2-yl-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119921653
2-[azepan-4-yl(ethyl)amino]-N-propan-2-ylacetamide
CID 103983310
ethyl 2-[ethyl(pyrrolidin-3-yl)amino]acetate
CID 63300317
N-(2-cyano-3-methylbutan-2-yl)-2-[ethyl(pyrrolidin-3-yl)amino]acetamide
CID 55206294
(3S)-N,N-diethylpyrrolidin-3-amine
CID 30722524
2-[ethyl(piperidin-4-yl)amino]-N-propylacetamide
CID 60806113
2-[ethyl(pyrrolidin-3-yl)amino]-N-(oxolan-2-ylmethyl)acetamide
CID 63299858

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(pyrrolidin-3-yl)amino]-N-pentan-3-ylacetamide?
The IUPAC name of 2-[ethyl(pyrrolidin-3-yl)amino]-N-pentan-3-ylacetamide (CID 63300371) is 2-[ethyl(pyrrolidin-3-yl)amino]-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-[ethyl(pyrrolidin-3-yl)amino]-N-pentan-3-ylacetamide?
The canonical SMILES for 2-[ethyl(pyrrolidin-3-yl)amino]-N-pentan-3-ylacetamide is CCC(CC)NC(=O)CN(CC)C1CCNC1.
What is the InChIKey of 2-[ethyl(pyrrolidin-3-yl)amino]-N-pentan-3-ylacetamide?
The InChIKey is WWYKSWPITMJIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-4-11(5-2)15-13(17)10-16(6-3)12-7-8-14-9-12/h11-12,14H,4-10H2,1-3H3,(H,15,17).
What are the key properties of 2-[ethyl(pyrrolidin-3-yl)amino]-N-pentan-3-ylacetamide?
2-[ethyl(pyrrolidin-3-yl)amino]-N-pentan-3-ylacetamide has a molecular weight of 241.38 g/mol, XLogP of 0.98, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(pyrrolidin-3-yl)amino]-N-pentan-3-ylacetamide is sourced from PubChem (CID 63300371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).