5-(dicyclohexylamino)-2-phenylpent-3-yn-2-ol

C23H33NO — CID 46218024

IUPAC5-(dicyclohexylamino)-2-phenylpent-3-yn-2-ol
SMILESCC(O)(C#CCN(C1CCCCC1)C1CCCCC1)c1ccccc1
InChIInChI=1S/C23H33NO/c1-23(25,20-12-5-2-6-13-20)18-11-19-24(21-14-7-3-8-15-21)22-16-9-4-10-17-22/h2,5-6,12-13,21-22,25H,3-4,7-10,14-17,19H2,1H3
InChIKeyIYWDPJOKBYEMQH-UHFFFAOYSA-N
MW339.52 g/mol
LogP4.86
Rot. Bonds4

About 5-(dicyclohexylamino)-2-phenylpent-3-yn-2-ol

5-(dicyclohexylamino)-2-phenylpent-3-yn-2-ol (PubChem CID 46218024) has the molecular formula C23H33NO and a molecular weight of 339.52 g/mol. Its IUPAC name is 5-(dicyclohexylamino)-2-phenylpent-3-yn-2-ol.

Molecular Properties

Compound Name5-(dicyclohexylamino)-2-phenylpent-3-yn-2-ol
PubChem CID46218024
Molecular FormulaC23H33NO
Molecular Weight339.52 g/mol
Exact Mass339.26
IUPAC Name5-(dicyclohexylamino)-2-phenylpent-3-yn-2-ol
SMILESCC(O)(C#CCN(C1CCCCC1)C1CCCCC1)c1ccccc1
InChIInChI=1S/C23H33NO/c1-23(25,20-12-5-2-6-13-20)18-11-19-24(21-14-7-3-8-15-21)22-16-9-4-10-17-22/h2,5-6,12-13,21-22,25H,3-4,7-10,14-17,19H2,1H3
InChIKeyIYWDPJOKBYEMQH-UHFFFAOYSA-N
XLogP4.86
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.52
LogP ≤ 54.86
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 5-(dicyclohexylamino)-2-phenylpent-3-yn-2-ol?
The IUPAC name of 5-(dicyclohexylamino)-2-phenylpent-3-yn-2-ol (CID 46218024) is 5-(dicyclohexylamino)-2-phenylpent-3-yn-2-ol.
What is the SMILES notation for 5-(dicyclohexylamino)-2-phenylpent-3-yn-2-ol?
The canonical SMILES for 5-(dicyclohexylamino)-2-phenylpent-3-yn-2-ol is CC(O)(C#CCN(C1CCCCC1)C1CCCCC1)c1ccccc1.
What is the InChIKey of 5-(dicyclohexylamino)-2-phenylpent-3-yn-2-ol?
The InChIKey is IYWDPJOKBYEMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33NO/c1-23(25,20-12-5-2-6-13-20)18-11-19-24(21-14-7-3-8-15-21)22-16-9-4-10-17-22/h2,5-6,12-13,21-22,25H,3-4,7-10,14-17,19H2,1H3.
What are the key properties of 5-(dicyclohexylamino)-2-phenylpent-3-yn-2-ol?
5-(dicyclohexylamino)-2-phenylpent-3-yn-2-ol has a molecular weight of 339.52 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dicyclohexylamino)-2-phenylpent-3-yn-2-ol is sourced from PubChem (CID 46218024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).