1-phenyl-1-(4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)prop-2-yn-1-ol

C25H29NO — CID 20721534

IUPAC1-phenyl-1-(4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)prop-2-yn-1-ol
SMILESC#CC(O)(c1ccccc1)c1cc2c3c(c1)C(C)(C)CCN3CCC2(C)C
InChIInChI=1S/C25H29NO/c1-6-25(27,18-10-8-7-9-11-18)19-16-20-22-21(17-19)24(4,5)13-15-26(22)14-12-23(20,2)3/h1,7-11,16-17,27H,12-15H2,2-5H3
InChIKeyQBQQTNZDLULPMS-UHFFFAOYSA-N
MW359.51 g/mol
LogP4.72
Rot. Bonds2

About 1-phenyl-1-(4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)prop-2-yn-1-ol

1-phenyl-1-(4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)prop-2-yn-1-ol (PubChem CID 20721534) has the molecular formula C25H29NO and a molecular weight of 359.51 g/mol. Its IUPAC name is 1-phenyl-1-(4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)prop-2-yn-1-ol.

Molecular Properties

Compound Name1-phenyl-1-(4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)prop-2-yn-1-ol
PubChem CID20721534
Molecular FormulaC25H29NO
Molecular Weight359.51 g/mol
Exact Mass359.22
IUPAC Name1-phenyl-1-(4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)prop-2-yn-1-ol
SMILESC#CC(O)(c1ccccc1)c1cc2c3c(c1)C(C)(C)CCN3CCC2(C)C
InChIInChI=1S/C25H29NO/c1-6-25(27,18-10-8-7-9-11-18)19-16-20-22-21(17-19)24(4,5)13-15-26(22)14-12-23(20,2)3/h1,7-11,16-17,27H,12-15H2,2-5H3
InChIKeyQBQQTNZDLULPMS-UHFFFAOYSA-N
XLogP4.72
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 1-phenyl-1-(4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)prop-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-phenyl-1-[4-(4-phenylpiperazin-1-yl)phenyl]prop-2-yn-1-ol
CID 170985732
1-phenyl-1-(4-piperazin-1-ylphenyl)prop-2-yn-1-ol
CID 86665810
2-[(4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)methylidene]propanedinitrile
CID 168550530
1-(3-fluoro-4-morpholin-4-ylphenyl)-1-phenylprop-2-yn-1-ol
CID 102246642
1-(2,3,4,5,6-pentakis-phenylphenyl)-1-phenylprop-2-yn-1-ol
CID 164675344
1,1-bis(4-pyrrolidin-1-ylphenyl)prop-2-yn-1-ol
CID 15508570
(Z)-2-cyano-3-[4-[(E)-2-(4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)ethenyl]phenyl]prop-2-enoic acid
CID 102522284
2-[(4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)methylideneamino]guanidine
CID 168592967
2-[hydroxy-(6-hydroxy-4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)methyl]benzoic acid
CID 155322123
2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propan-2-ol
CID 71521561
dimethyl 1-phenyl-3-(4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)pyrazole-4,5-dicarboxylate
CID 169388396
1-(1-hydroxy-1-phenylprop-2-ynyl)cyclobutane-1-carbonitrile
CID 118671494

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-1-(4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)prop-2-yn-1-ol?
The IUPAC name of 1-phenyl-1-(4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)prop-2-yn-1-ol (CID 20721534) is 1-phenyl-1-(4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)prop-2-yn-1-ol.
What is the SMILES notation for 1-phenyl-1-(4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)prop-2-yn-1-ol?
The canonical SMILES for 1-phenyl-1-(4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)prop-2-yn-1-ol is C#CC(O)(c1ccccc1)c1cc2c3c(c1)C(C)(C)CCN3CCC2(C)C.
What is the InChIKey of 1-phenyl-1-(4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)prop-2-yn-1-ol?
The InChIKey is QBQQTNZDLULPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO/c1-6-25(27,18-10-8-7-9-11-18)19-16-20-22-21(17-19)24(4,5)13-15-26(22)14-12-23(20,2)3/h1,7-11,16-17,27H,12-15H2,2-5H3.
What are the key properties of 1-phenyl-1-(4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)prop-2-yn-1-ol?
1-phenyl-1-(4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)prop-2-yn-1-ol has a molecular weight of 359.51 g/mol, XLogP of 4.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-1-(4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)prop-2-yn-1-ol is sourced from PubChem (CID 20721534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).