(5-hydroxy-5,5-diphenylpent-2-ynyl)-di(propan-2-yl)azanium chloride

C23H30ClNO — CID 44658888

IUPAC(5-hydroxy-5,5-diphenylpent-2-ynyl)-di(propan-2-yl)azanium chloride
SMILESCC(C)[NH+](CC#CCC(O)(c1ccccc1)c1ccccc1)C(C)C.[Cl-]
InChIInChI=1S/C23H29NO.ClH/c1-19(2)24(20(3)4)18-12-11-17-23(25,21-13-7-5-8-14-21)22-15-9-6-10-16-22;/h5-10,13-16,19-20,25H,17-18H2,1-4H3;1H
InChIKeyDAUNGSBHVAIOIX-UHFFFAOYSA-N
MW371.95 g/mol
LogP0.02
Rot. Bonds6

About (5-hydroxy-5,5-diphenylpent-2-ynyl)-di(propan-2-yl)azanium chloride

(5-hydroxy-5,5-diphenylpent-2-ynyl)-di(propan-2-yl)azanium chloride (PubChem CID 44658888) has the molecular formula C23H30ClNO and a molecular weight of 371.95 g/mol. Its IUPAC name is (5-hydroxy-5,5-diphenylpent-2-ynyl)-di(propan-2-yl)azanium chloride.

Molecular Properties

Compound Name(5-hydroxy-5,5-diphenylpent-2-ynyl)-di(propan-2-yl)azanium chloride
PubChem CID44658888
Molecular FormulaC23H30ClNO
Molecular Weight371.95 g/mol
Exact Mass371.20
IUPAC Name(5-hydroxy-5,5-diphenylpent-2-ynyl)-di(propan-2-yl)azanium chloride
SMILESCC(C)[NH+](CC#CCC(O)(c1ccccc1)c1ccccc1)C(C)C.[Cl-]
InChIInChI=1S/C23H29NO.ClH/c1-19(2)24(20(3)4)18-12-11-17-23(25,21-13-7-5-8-14-21)22-15-9-6-10-16-22;/h5-10,13-16,19-20,25H,17-18H2,1-4H3;1H
InChIKeyDAUNGSBHVAIOIX-UHFFFAOYSA-N
XLogP0.02
TPSA24.67 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.95
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (5-hydroxy-5,5-diphenylpent-2-ynyl)-di(propan-2-yl)azanium chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-(4-bromophenyl)-5-hydroxy-5-phenylpent-2-ynyl]-diethylazanium chloride
CID 44659482
2-amino-1,1-diphenylethanol;2-methylpropane
CID 143904354
(5-cyclopentyl-5-hydroxy-5-phenylpent-2-ynyl)-ethyl-propan-2-ylazanium
CID 4223063
5-(azepan-1-ium-1-yl)-1,1-diphenylpent-3-yn-1-ol chloride
CID 44657108
5,5-diphenylhex-2-ynyl(diethyl)azanium chloride
CID 44657475
7-(diethylamino)-2-methyl-3-phenylhept-5-yn-3-ol
CID 102551639
(3R)-3-(methylamino)-1,1-diphenylbutan-1-ol
CID 129362138
3-methoxy-1,1-diphenylbutan-1-ol
CID 13380056
2-methyl-3-phenyl-7-pyrrolidin-1-ium-1-ylhept-5-yn-3-ol chloride
CID 44657125
CID 136819313
CID 136819313
3-methyl-2-phenylpentan-2-ol
CID 13024634
1,1-diphenylpent-2-yn-1-ol
CID 155311786

Frequently Asked Questions

What is the IUPAC name of (5-hydroxy-5,5-diphenylpent-2-ynyl)-di(propan-2-yl)azanium chloride?
The IUPAC name of (5-hydroxy-5,5-diphenylpent-2-ynyl)-di(propan-2-yl)azanium chloride (CID 44658888) is (5-hydroxy-5,5-diphenylpent-2-ynyl)-di(propan-2-yl)azanium chloride.
What is the SMILES notation for (5-hydroxy-5,5-diphenylpent-2-ynyl)-di(propan-2-yl)azanium chloride?
The canonical SMILES for (5-hydroxy-5,5-diphenylpent-2-ynyl)-di(propan-2-yl)azanium chloride is CC(C)[NH+](CC#CCC(O)(c1ccccc1)c1ccccc1)C(C)C.[Cl-].
What is the InChIKey of (5-hydroxy-5,5-diphenylpent-2-ynyl)-di(propan-2-yl)azanium chloride?
The InChIKey is DAUNGSBHVAIOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO.ClH/c1-19(2)24(20(3)4)18-12-11-17-23(25,21-13-7-5-8-14-21)22-15-9-6-10-16-22;/h5-10,13-16,19-20,25H,17-18H2,1-4H3;1H.
What are the key properties of (5-hydroxy-5,5-diphenylpent-2-ynyl)-di(propan-2-yl)azanium chloride?
(5-hydroxy-5,5-diphenylpent-2-ynyl)-di(propan-2-yl)azanium chloride has a molecular weight of 371.95 g/mol, XLogP of 0.02, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-hydroxy-5,5-diphenylpent-2-ynyl)-di(propan-2-yl)azanium chloride is sourced from PubChem (CID 44658888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).