4-[cyclopentyl(2-hydroxyethyl)amino]pentan-2-one

C12H23NO2 — CID 64696261

IUPAC4-[cyclopentyl(2-hydroxyethyl)amino]pentan-2-one
SMILESCC(=O)CC(C)N(CCO)C1CCCC1
InChIInChI=1S/C12H23NO2/c1-10(9-11(2)15)13(7-8-14)12-5-3-4-6-12/h10,12,14H,3-9H2,1-2H3
InChIKeyPTZUYXRKHUTLAY-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.59
Rot. Bonds6

About 4-[cyclopentyl(2-hydroxyethyl)amino]pentan-2-one

4-[cyclopentyl(2-hydroxyethyl)amino]pentan-2-one (PubChem CID 64696261) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 4-[cyclopentyl(2-hydroxyethyl)amino]pentan-2-one.

Molecular Properties

Compound Name4-[cyclopentyl(2-hydroxyethyl)amino]pentan-2-one
PubChem CID64696261
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name4-[cyclopentyl(2-hydroxyethyl)amino]pentan-2-one
SMILESCC(=O)CC(C)N(CCO)C1CCCC1
InChIInChI=1S/C12H23NO2/c1-10(9-11(2)15)13(7-8-14)12-5-3-4-6-12/h10,12,14H,3-9H2,1-2H3
InChIKeyPTZUYXRKHUTLAY-UHFFFAOYSA-N
XLogP1.59
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[cyclobutyl(2-hydroxyethyl)amino]butanethioamide
CID 102862712
2-[cyclopentyl(propan-2-yl)amino]ethanol
CID 62020033
2-[cyclohexyl(pentan-2-yl)amino]ethanol
CID 107886016
4-[cyclopentyl(methyl)amino]pentan-2-one
CID 64698717
4-[cycloheptyl(methyl)amino]pentan-2-one
CID 64696664
1-[cyclohexyl(2-hydroxyethyl)amino]ethanol
CID 174488564
2-[cyclopentyl(2-hydroxyethyl)amino]-N-pentylpropanamide
CID 62016618
tert-butyl 2-[cyclopentyl(2-hydroxyethyl)amino]propanoate
CID 66339425
tert-butyl 2-[cyclohexyl(2-hydroxyethyl)amino]propanoate
CID 66339424
N-cyclopentyl-N-(2-hydroxyethyl)-3-oxobutanamide
CID 60952245
2-[cyclobutyl(2-hydroxyethyl)amino]-N-(methylcarbamoyl)propanamide
CID 102870196
3-[cyclobutyl(2-hydroxyethyl)amino]-2-methylbutanehydrazide
CID 102873737

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopentyl(2-hydroxyethyl)amino]pentan-2-one?
The IUPAC name of 4-[cyclopentyl(2-hydroxyethyl)amino]pentan-2-one (CID 64696261) is 4-[cyclopentyl(2-hydroxyethyl)amino]pentan-2-one.
What is the SMILES notation for 4-[cyclopentyl(2-hydroxyethyl)amino]pentan-2-one?
The canonical SMILES for 4-[cyclopentyl(2-hydroxyethyl)amino]pentan-2-one is CC(=O)CC(C)N(CCO)C1CCCC1.
What is the InChIKey of 4-[cyclopentyl(2-hydroxyethyl)amino]pentan-2-one?
The InChIKey is PTZUYXRKHUTLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-10(9-11(2)15)13(7-8-14)12-5-3-4-6-12/h10,12,14H,3-9H2,1-2H3.
What are the key properties of 4-[cyclopentyl(2-hydroxyethyl)amino]pentan-2-one?
4-[cyclopentyl(2-hydroxyethyl)amino]pentan-2-one has a molecular weight of 213.32 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopentyl(2-hydroxyethyl)amino]pentan-2-one is sourced from PubChem (CID 64696261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).