2-[2-hydroxyethyl(pentan-3-yl)amino]-1-pyrrolidin-1-ylethanone

C13H26N2O2 — CID 62016645

IUPAC2-[2-hydroxyethyl(pentan-3-yl)amino]-1-pyrrolidin-1-ylethanone
SMILESCCC(CC)N(CCO)CC(=O)N1CCCC1
InChIInChI=1S/C13H26N2O2/c1-3-12(4-2)15(9-10-16)11-13(17)14-7-5-6-8-14/h12,16H,3-11H2,1-2H3
InChIKeyBAFQLXDHOBDFQK-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.09
Rot. Bonds7

About 2-[2-hydroxyethyl(pentan-3-yl)amino]-1-pyrrolidin-1-ylethanone

2-[2-hydroxyethyl(pentan-3-yl)amino]-1-pyrrolidin-1-ylethanone (PubChem CID 62016645) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(pentan-3-yl)amino]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[2-hydroxyethyl(pentan-3-yl)amino]-1-pyrrolidin-1-ylethanone
PubChem CID62016645
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-[2-hydroxyethyl(pentan-3-yl)amino]-1-pyrrolidin-1-ylethanone
SMILESCCC(CC)N(CCO)CC(=O)N1CCCC1
InChIInChI=1S/C13H26N2O2/c1-3-12(4-2)15(9-10-16)11-13(17)14-7-5-6-8-14/h12,16H,3-11H2,1-2H3
InChIKeyBAFQLXDHOBDFQK-UHFFFAOYSA-N
XLogP1.09
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-hydroxyethyl(pentan-3-yl)amino]-1-pyrrolidin-1-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(azocan-1-yl)-2-[2-hydroxyethyl(propan-2-yl)amino]ethanone
CID 60696591
2-[ethyl(2-hydroxyethyl)amino]-1-piperidin-1-ylethanone
CID 60685851
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[2-hydroxyethyl(pentan-3-yl)amino]ethanone
CID 62016465
N-(2-hydroxyethyl)-N-pentan-3-ylazepane-1-carboxamide
CID 79152464
2-[bis(2-hydroxyethyl)amino]-1-piperidin-1-ylethanone
CID 60686615
2-[[2-(azocan-1-yl)-2-oxoethyl]-butan-2-ylamino]acetic acid
CID 60832959
2-[1-aminopentan-3-yl(methyl)amino]-1-pyrrolidin-1-ylethanone
CID 61438684
N-(2-oxo-2-piperidin-1-ylethyl)-N-propan-2-ylacetamide
CID 113158106
N-cyclopentyl-2-[2-hydroxyethyl(pentan-3-yl)amino]acetamide
CID 62015869
4-[(2-oxo-2-pyrrolidin-1-ylethyl)-propan-2-ylamino]butanoic acid
CID 54925850
2-[3-aminopropyl(propan-2-yl)amino]-1-(azepan-1-yl)ethanone
CID 43137448
ethyl 2-[[2-(azepan-1-yl)-2-oxoethyl]-propan-2-ylamino]acetate
CID 61224895

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl(pentan-3-yl)amino]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[2-hydroxyethyl(pentan-3-yl)amino]-1-pyrrolidin-1-ylethanone (CID 62016645) is 2-[2-hydroxyethyl(pentan-3-yl)amino]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[2-hydroxyethyl(pentan-3-yl)amino]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[2-hydroxyethyl(pentan-3-yl)amino]-1-pyrrolidin-1-ylethanone is CCC(CC)N(CCO)CC(=O)N1CCCC1.
What is the InChIKey of 2-[2-hydroxyethyl(pentan-3-yl)amino]-1-pyrrolidin-1-ylethanone?
The InChIKey is BAFQLXDHOBDFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-3-12(4-2)15(9-10-16)11-13(17)14-7-5-6-8-14/h12,16H,3-11H2,1-2H3.
What are the key properties of 2-[2-hydroxyethyl(pentan-3-yl)amino]-1-pyrrolidin-1-ylethanone?
2-[2-hydroxyethyl(pentan-3-yl)amino]-1-pyrrolidin-1-ylethanone has a molecular weight of 242.36 g/mol, XLogP of 1.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(pentan-3-yl)amino]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 62016645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).