4-(diethylamino)-4-methyl-1,1-diphenylpent-2-yn-1-ol

C22H27NO — CID 2835423

IUPAC4-(diethylamino)-4-methyl-1,1-diphenylpent-2-yn-1-ol
SMILESCCN(CC)C(C)(C)C#CC(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H27NO/c1-5-23(6-2)21(3,4)17-18-22(24,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16,24H,5-6H2,1-4H3
InChIKeyJBTLYYUMVZGAEL-UHFFFAOYSA-N
MW321.46 g/mol
LogP4.05
Rot. Bonds5

About 4-(diethylamino)-4-methyl-1,1-diphenylpent-2-yn-1-ol

4-(diethylamino)-4-methyl-1,1-diphenylpent-2-yn-1-ol (PubChem CID 2835423) has the molecular formula C22H27NO and a molecular weight of 321.46 g/mol. Its IUPAC name is 4-(diethylamino)-4-methyl-1,1-diphenylpent-2-yn-1-ol.

Molecular Properties

Compound Name4-(diethylamino)-4-methyl-1,1-diphenylpent-2-yn-1-ol
PubChem CID2835423
Molecular FormulaC22H27NO
Molecular Weight321.46 g/mol
Exact Mass321.21
IUPAC Name4-(diethylamino)-4-methyl-1,1-diphenylpent-2-yn-1-ol
SMILESCCN(CC)C(C)(C)C#CC(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H27NO/c1-5-23(6-2)21(3,4)17-18-22(24,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16,24H,5-6H2,1-4H3
InChIKeyJBTLYYUMVZGAEL-UHFFFAOYSA-N
XLogP4.05
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.46
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(diethylamino)-4-methyl-1,1-diphenylpent-2-yn-1-ol 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

1,1-diphenylpent-2-yn-1-ol
CID 155311786
1,1-diphenylbut-2-yn-1-ol
CID 569279
benzyl-(5-hydroxy-2-methyl-5,5-diphenylpent-3-yn-2-yl)-dimethylazanium chloride
CID 44656249
2-[ethyl-(2-hydroxy-2-phenylpropyl)amino]-2-methylpropanoic acid
CID 62820426
bis(N,N-dimethylformamide);1,1,6,6-tetraphenylhexa-2,4-diyne-1,6-diol
CID 139195473
5,5-dimethyl-1,1-diphenylhex-2-yne-1,4-diol
CID 71489134
N-ethyl-N-(2-phenylpropan-2-yl)tetradecan-1-amine
CID 160845745
1-(2,2,2-triphenylethoxy)ethane-1,1-diol
CID 54503444
4-[benzyl(methyl)amino]-1,1-diphenylbut-2-yn-1-ol;hydrochloride
CID 52997639
(2S,4R)-2,4-diphenylpentane-2,4-diol
CID 139037078
1-(2-aminophenyl)-4,4-dimethyl-1-phenylpent-2-yn-1-ol
CID 23624782
(1S)-4-(diethylamino)-1-phenyl-1-thiophen-2-ylbut-2-yn-1-ol
CID 7117868

Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-4-methyl-1,1-diphenylpent-2-yn-1-ol?
The IUPAC name of 4-(diethylamino)-4-methyl-1,1-diphenylpent-2-yn-1-ol (CID 2835423) is 4-(diethylamino)-4-methyl-1,1-diphenylpent-2-yn-1-ol.
What is the SMILES notation for 4-(diethylamino)-4-methyl-1,1-diphenylpent-2-yn-1-ol?
The canonical SMILES for 4-(diethylamino)-4-methyl-1,1-diphenylpent-2-yn-1-ol is CCN(CC)C(C)(C)C#CC(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-(diethylamino)-4-methyl-1,1-diphenylpent-2-yn-1-ol?
The InChIKey is JBTLYYUMVZGAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO/c1-5-23(6-2)21(3,4)17-18-22(24,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16,24H,5-6H2,1-4H3.
What are the key properties of 4-(diethylamino)-4-methyl-1,1-diphenylpent-2-yn-1-ol?
4-(diethylamino)-4-methyl-1,1-diphenylpent-2-yn-1-ol has a molecular weight of 321.46 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-4-methyl-1,1-diphenylpent-2-yn-1-ol is sourced from PubChem (CID 2835423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).