1-(furan-2-yl)-2-(3-methylbut-2-enylamino)ethanol

C11H17NO2 — CID 106546957

IUPAC1-(furan-2-yl)-2-(3-methylbut-2-enylamino)ethanol
SMILESCC(C)=CCNCC(O)c1ccco1
InChIInChI=1S/C11H17NO2/c1-9(2)5-6-12-8-10(13)11-4-3-7-14-11/h3-5,7,10,12-13H,6,8H2,1-2H3
InChIKeyOKBNLTISIXKKOF-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.87
Rot. Bonds5

About 1-(furan-2-yl)-2-(3-methylbut-2-enylamino)ethanol

1-(furan-2-yl)-2-(3-methylbut-2-enylamino)ethanol (PubChem CID 106546957) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 1-(furan-2-yl)-2-(3-methylbut-2-enylamino)ethanol.

Molecular Properties

Compound Name1-(furan-2-yl)-2-(3-methylbut-2-enylamino)ethanol
PubChem CID106546957
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name1-(furan-2-yl)-2-(3-methylbut-2-enylamino)ethanol
SMILESCC(C)=CCNCC(O)c1ccco1
InChIInChI=1S/C11H17NO2/c1-9(2)5-6-12-8-10(13)11-4-3-7-14-11/h3-5,7,10,12-13H,6,8H2,1-2H3
InChIKeyOKBNLTISIXKKOF-UHFFFAOYSA-N
XLogP1.87
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(furan-2-yl)-4-methylpent-3-en-1-ol
CID 15350980
2-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-N-methylacetamide
CID 60901417
1-(furan-2-yl)-2-[[1-(hydroxymethyl)cyclopropyl]methylamino]ethanol
CID 115454702
4-[[[2-(furan-2-yl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol
CID 106133141
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-1-(furan-2-yl)ethanol
CID 106372593
1-cyclopropyl-2-[[2-(furan-2-yl)-2-hydroxyethyl]amino]ethanol
CID 63296627
1-(3-fluorophenyl)-2-(3-methylbut-2-enylamino)ethanol
CID 106547043
1-(furan-2-yl)-2-(4-methoxybutylamino)ethanol
CID 60969452
methyl 3-[[2-(furan-2-yl)-2-hydroxyethyl]amino]propanoate
CID 60925426
1-(furan-2-yl)-2-[(1-methylpyrrol-2-yl)methylamino]ethanol
CID 71982545
1-(furan-2-yl)-2-[(4-methyloxan-4-yl)methylamino]ethanol
CID 113429693
2-(3-methylbut-2-enylamino)-1-[4-(2-methylpropyl)phenyl]ethanol
CID 106188249

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-2-(3-methylbut-2-enylamino)ethanol?
The IUPAC name of 1-(furan-2-yl)-2-(3-methylbut-2-enylamino)ethanol (CID 106546957) is 1-(furan-2-yl)-2-(3-methylbut-2-enylamino)ethanol.
What is the SMILES notation for 1-(furan-2-yl)-2-(3-methylbut-2-enylamino)ethanol?
The canonical SMILES for 1-(furan-2-yl)-2-(3-methylbut-2-enylamino)ethanol is CC(C)=CCNCC(O)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-2-(3-methylbut-2-enylamino)ethanol?
The InChIKey is OKBNLTISIXKKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-9(2)5-6-12-8-10(13)11-4-3-7-14-11/h3-5,7,10,12-13H,6,8H2,1-2H3.
What are the key properties of 1-(furan-2-yl)-2-(3-methylbut-2-enylamino)ethanol?
1-(furan-2-yl)-2-(3-methylbut-2-enylamino)ethanol has a molecular weight of 195.26 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-2-(3-methylbut-2-enylamino)ethanol is sourced from PubChem (CID 106546957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).