1-(furan-2-yl)-2-(hex-1-yn-3-ylamino)ethanol

C12H17NO2 — CID 106229854

IUPAC1-(furan-2-yl)-2-(hex-1-yn-3-ylamino)ethanol
SMILESC#CC(CCC)NCC(O)c1ccco1
InChIInChI=1S/C12H17NO2/c1-3-6-10(4-2)13-9-11(14)12-7-5-8-15-12/h2,5,7-8,10-11,13-14H,3,6,9H2,1H3
InChIKeyRNKOHSRIHKLIKQ-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.70
Rot. Bonds6

About 1-(furan-2-yl)-2-(hex-1-yn-3-ylamino)ethanol

1-(furan-2-yl)-2-(hex-1-yn-3-ylamino)ethanol (PubChem CID 106229854) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 1-(furan-2-yl)-2-(hex-1-yn-3-ylamino)ethanol.

Molecular Properties

Compound Name1-(furan-2-yl)-2-(hex-1-yn-3-ylamino)ethanol
PubChem CID106229854
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name1-(furan-2-yl)-2-(hex-1-yn-3-ylamino)ethanol
SMILESC#CC(CCC)NCC(O)c1ccco1
InChIInChI=1S/C12H17NO2/c1-3-6-10(4-2)13-9-11(14)12-7-5-8-15-12/h2,5,7-8,10-11,13-14H,3,6,9H2,1H3
InChIKeyRNKOHSRIHKLIKQ-UHFFFAOYSA-N
XLogP1.70
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(hex-1-yn-3-ylamino)-1-thiophen-2-ylethanol
CID 106229852
1-(2-chlorophenyl)-2-(hex-1-yn-3-ylamino)ethanol
CID 114161254
N-[furan-2-yl(phenyl)methyl]hex-1-yn-3-amine
CID 106226699
2-(hex-1-yn-3-ylamino)-1-(4-methylsulfonylphenyl)ethanol
CID 106230076
acetylene;(1S)-1-(furan-2-yl)propan-1-ol
CID 143788269
1-(furan-2-yl)decan-1-ol
CID 11085452
1-(furan-2-yl)-2-[1-(4-propan-2-ylphenyl)ethylamino]ethanol
CID 110888235
N-(2-methylpropyl)hex-1-yn-3-amine
CID 107234224
2-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-4-methylpentan-1-ol
CID 61246872
2-(1-cyclohexylpropylamino)-1-(furan-2-yl)ethanol
CID 62406474
(1S)-2-[[(1R)-1-(2-fluorophenyl)propyl]amino]-1-(furan-2-yl)ethanol
CID 99852082
N-[(1S)-1-(furan-2-yl)ethyl]-2-methylpentan-1-amine
CID 81403881

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-2-(hex-1-yn-3-ylamino)ethanol?
The IUPAC name of 1-(furan-2-yl)-2-(hex-1-yn-3-ylamino)ethanol (CID 106229854) is 1-(furan-2-yl)-2-(hex-1-yn-3-ylamino)ethanol.
What is the SMILES notation for 1-(furan-2-yl)-2-(hex-1-yn-3-ylamino)ethanol?
The canonical SMILES for 1-(furan-2-yl)-2-(hex-1-yn-3-ylamino)ethanol is C#CC(CCC)NCC(O)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-2-(hex-1-yn-3-ylamino)ethanol?
The InChIKey is RNKOHSRIHKLIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-3-6-10(4-2)13-9-11(14)12-7-5-8-15-12/h2,5,7-8,10-11,13-14H,3,6,9H2,1H3.
What are the key properties of 1-(furan-2-yl)-2-(hex-1-yn-3-ylamino)ethanol?
1-(furan-2-yl)-2-(hex-1-yn-3-ylamino)ethanol has a molecular weight of 207.27 g/mol, XLogP of 1.70, 6 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-(hex-1-yn-3-ylamino)ethanol is sourced from PubChem (CID 106229854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).