6-(N-ethylanilino)hex-4-yn-2-ol

C14H19NO — CID 4110263

IUPAC6-(N-ethylanilino)hex-4-yn-2-ol
SMILESCCN(CC#CCC(C)O)c1ccccc1
InChIInChI=1S/C14H19NO/c1-3-15(12-8-7-9-13(2)16)14-10-5-4-6-11-14/h4-6,10-11,13,16H,3,9,12H2,1-2H3
InChIKeyIVSBUNQOGBNNSO-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.29
Rot. Bonds4

About 6-(N-ethylanilino)hex-4-yn-2-ol

6-(N-ethylanilino)hex-4-yn-2-ol (PubChem CID 4110263) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 6-(N-ethylanilino)hex-4-yn-2-ol.

Molecular Properties

Compound Name6-(N-ethylanilino)hex-4-yn-2-ol
PubChem CID4110263
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name6-(N-ethylanilino)hex-4-yn-2-ol
SMILESCCN(CC#CCC(C)O)c1ccccc1
InChIInChI=1S/C14H19NO/c1-3-15(12-8-7-9-13(2)16)14-10-5-4-6-11-14/h4-6,10-11,13,16H,3,9,12H2,1-2H3
InChIKeyIVSBUNQOGBNNSO-UHFFFAOYSA-N
XLogP2.29
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(N-ethylanilino)hex-4-yn-2-ol?
The IUPAC name of 6-(N-ethylanilino)hex-4-yn-2-ol (CID 4110263) is 6-(N-ethylanilino)hex-4-yn-2-ol.
What is the SMILES notation for 6-(N-ethylanilino)hex-4-yn-2-ol?
The canonical SMILES for 6-(N-ethylanilino)hex-4-yn-2-ol is CCN(CC#CCC(C)O)c1ccccc1.
What is the InChIKey of 6-(N-ethylanilino)hex-4-yn-2-ol?
The InChIKey is IVSBUNQOGBNNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-3-15(12-8-7-9-13(2)16)14-10-5-4-6-11-14/h4-6,10-11,13,16H,3,9,12H2,1-2H3.
What are the key properties of 6-(N-ethylanilino)hex-4-yn-2-ol?
6-(N-ethylanilino)hex-4-yn-2-ol has a molecular weight of 217.31 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(N-ethylanilino)hex-4-yn-2-ol is sourced from PubChem (CID 4110263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).