4-[2-(butylamino)-1-hydroxyethyl]-1H-pyridin-2-one

C11H18N2O2 — CID 138473017

IUPAC4-[2-(butylamino)-1-hydroxyethyl]-1H-pyridin-2-one
SMILESCCCCNCC(O)c1cc[nH]c(=O)c1
InChIInChI=1S/C11H18N2O2/c1-2-3-5-12-8-10(14)9-4-6-13-11(15)7-9/h4,6-7,10,12,14H,2-3,5,8H2,1H3,(H,13,15)
InChIKeyIHINBCLAIJVIOH-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.80
Rot. Bonds6

About 4-[2-(butylamino)-1-hydroxyethyl]-1H-pyridin-2-one

4-[2-(butylamino)-1-hydroxyethyl]-1H-pyridin-2-one (PubChem CID 138473017) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 4-[2-(butylamino)-1-hydroxyethyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[2-(butylamino)-1-hydroxyethyl]-1H-pyridin-2-one
PubChem CID138473017
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name4-[2-(butylamino)-1-hydroxyethyl]-1H-pyridin-2-one
SMILESCCCCNCC(O)c1cc[nH]c(=O)c1
InChIInChI=1S/C11H18N2O2/c1-2-3-5-12-8-10(14)9-4-6-13-11(15)7-9/h4,6-7,10,12,14H,2-3,5,8H2,1H3,(H,13,15)
InChIKeyIHINBCLAIJVIOH-UHFFFAOYSA-N
XLogP0.80
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(butylamino)-1-(3,4-dichlorophenyl)ethanol
CID 82315757
4-[(1R)-2-(butylamino)-1-hydroxyethyl]phenol
CID 2057150
(1S)-2-(hexylamino)-1-phenylethanol
CID 102581936
[5-[(1R)-2-(butylamino)-1-hydroxyethyl]-2-fluorophenyl] acetate
CID 138473175
1-(3-fluorophenyl)-2-(octylamino)ethanol
CID 115567782
N-[2,3-dihydroxy-3-(2-oxo-1H-pyridin-4-yl)propyl]acetamide
CID 170829568
1-(3-bromophenyl)-2-(3-butoxypropylamino)ethanol
CID 115578408
1-[4-(2-methylpropyl)phenyl]-2-(pentylamino)ethanol
CID 60896684
1-(3-methylphenyl)-2-(propylamino)ethanol
CID 62774312
[4-[1-hydroxy-2-(octylamino)ethyl]phenyl] acetate
CID 138558245
2-(pentylamino)-1-(4-propoxyphenyl)ethanol
CID 82314080
4-[(1R)-2-[6-[[(2S)-2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino]hexylamino]-1-hydroxyethyl]benzene-1,2-diol
CID 24993924

Frequently Asked Questions

What is the IUPAC name of 4-[2-(butylamino)-1-hydroxyethyl]-1H-pyridin-2-one?
The IUPAC name of 4-[2-(butylamino)-1-hydroxyethyl]-1H-pyridin-2-one (CID 138473017) is 4-[2-(butylamino)-1-hydroxyethyl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[2-(butylamino)-1-hydroxyethyl]-1H-pyridin-2-one?
The canonical SMILES for 4-[2-(butylamino)-1-hydroxyethyl]-1H-pyridin-2-one is CCCCNCC(O)c1cc[nH]c(=O)c1.
What is the InChIKey of 4-[2-(butylamino)-1-hydroxyethyl]-1H-pyridin-2-one?
The InChIKey is IHINBCLAIJVIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-2-3-5-12-8-10(14)9-4-6-13-11(15)7-9/h4,6-7,10,12,14H,2-3,5,8H2,1H3,(H,13,15).
What are the key properties of 4-[2-(butylamino)-1-hydroxyethyl]-1H-pyridin-2-one?
4-[2-(butylamino)-1-hydroxyethyl]-1H-pyridin-2-one has a molecular weight of 210.28 g/mol, XLogP of 0.80, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(butylamino)-1-hydroxyethyl]-1H-pyridin-2-one is sourced from PubChem (CID 138473017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).