1-cyclopentyl-3-[2-hydroxyethyl(propan-2-yl)amino]propan-1-one

C13H25NO2 — CID 123593354

IUPAC1-cyclopentyl-3-[2-hydroxyethyl(propan-2-yl)amino]propan-1-one
SMILESCC(C)N(CCO)CCC(=O)C1CCCC1
InChIInChI=1S/C13H25NO2/c1-11(2)14(9-10-15)8-7-13(16)12-5-3-4-6-12/h11-12,15H,3-10H2,1-2H3
InChIKeyZZNNKRRHSSEILQ-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.84
Rot. Bonds7

About 1-cyclopentyl-3-[2-hydroxyethyl(propan-2-yl)amino]propan-1-one

1-cyclopentyl-3-[2-hydroxyethyl(propan-2-yl)amino]propan-1-one (PubChem CID 123593354) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-cyclopentyl-3-[2-hydroxyethyl(propan-2-yl)amino]propan-1-one.

Molecular Properties

Compound Name1-cyclopentyl-3-[2-hydroxyethyl(propan-2-yl)amino]propan-1-one
PubChem CID123593354
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name1-cyclopentyl-3-[2-hydroxyethyl(propan-2-yl)amino]propan-1-one
SMILESCC(C)N(CCO)CCC(=O)C1CCCC1
InChIInChI=1S/C13H25NO2/c1-11(2)14(9-10-15)8-7-13(16)12-5-3-4-6-12/h11-12,15H,3-10H2,1-2H3
InChIKeyZZNNKRRHSSEILQ-UHFFFAOYSA-N
XLogP1.84
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[2-hydroxyethyl(propan-2-yl)amino]propan-1-one?
The IUPAC name of 1-cyclopentyl-3-[2-hydroxyethyl(propan-2-yl)amino]propan-1-one (CID 123593354) is 1-cyclopentyl-3-[2-hydroxyethyl(propan-2-yl)amino]propan-1-one.
What is the SMILES notation for 1-cyclopentyl-3-[2-hydroxyethyl(propan-2-yl)amino]propan-1-one?
The canonical SMILES for 1-cyclopentyl-3-[2-hydroxyethyl(propan-2-yl)amino]propan-1-one is CC(C)N(CCO)CCC(=O)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-[2-hydroxyethyl(propan-2-yl)amino]propan-1-one?
The InChIKey is ZZNNKRRHSSEILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-11(2)14(9-10-15)8-7-13(16)12-5-3-4-6-12/h11-12,15H,3-10H2,1-2H3.
What are the key properties of 1-cyclopentyl-3-[2-hydroxyethyl(propan-2-yl)amino]propan-1-one?
1-cyclopentyl-3-[2-hydroxyethyl(propan-2-yl)amino]propan-1-one has a molecular weight of 227.35 g/mol, XLogP of 1.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[2-hydroxyethyl(propan-2-yl)amino]propan-1-one is sourced from PubChem (CID 123593354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).