4-benzyl-4-(dimethylamino)-1-(5-triethylsilylpent-4-ynyl)cyclohexan-1-ol

C26H43NOSi — CID 140539933

IUPAC4-benzyl-4-(dimethylamino)-1-(5-triethylsilylpent-4-ynyl)cyclohexan-1-ol
SMILESCC[Si](C#CCCCC1(O)CCC(Cc2ccccc2)(N(C)C)CC1)(CC)CC
InChIInChI=1S/C26H43NOSi/c1-6-29(7-2,8-3)22-14-10-13-17-26(28)20-18-25(19-21-26,27(4)5)23-24-15-11-9-12-16-24/h9,11-12,15-16,28H,6-8,10,13,17-21,23H2,1-5H3
InChIKeyDJPQAFWFHIYTQM-UHFFFAOYSA-N
MW413.72 g/mol
LogP6.06
Rot. Bonds9

About 4-benzyl-4-(dimethylamino)-1-(5-triethylsilylpent-4-ynyl)cyclohexan-1-ol

4-benzyl-4-(dimethylamino)-1-(5-triethylsilylpent-4-ynyl)cyclohexan-1-ol (PubChem CID 140539933) has the molecular formula C26H43NOSi and a molecular weight of 413.72 g/mol. Its IUPAC name is 4-benzyl-4-(dimethylamino)-1-(5-triethylsilylpent-4-ynyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-benzyl-4-(dimethylamino)-1-(5-triethylsilylpent-4-ynyl)cyclohexan-1-ol
PubChem CID140539933
Molecular FormulaC26H43NOSi
Molecular Weight413.72 g/mol
Exact Mass413.31
IUPAC Name4-benzyl-4-(dimethylamino)-1-(5-triethylsilylpent-4-ynyl)cyclohexan-1-ol
SMILESCC[Si](C#CCCCC1(O)CCC(Cc2ccccc2)(N(C)C)CC1)(CC)CC
InChIInChI=1S/C26H43NOSi/c1-6-29(7-2,8-3)22-14-10-13-17-26(28)20-18-25(19-21-26,27(4)5)23-24-15-11-9-12-16-24/h9,11-12,15-16,28H,6-8,10,13,17-21,23H2,1-5H3
InChIKeyDJPQAFWFHIYTQM-UHFFFAOYSA-N
XLogP6.06
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.72
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(Dimethylamino)-1-ethynyl-4-(4-methylphenyl)cyclohexan-1-ol
CID 12711972
4-Benzyl-4-(dimethylamino)-1-[2-(2-fluorophenyl)ethyl]cyclohexan-1-ol
CID 9968580
4-(Dimethylamino)-4-[(3-fluorophenyl)methyl]-1-(2-phenylethyl)cyclohexan-1-ol
CID 9968581
4-Dimethylamino-4-(2-fluorobenzyl)-1-phenethylcyclohexanol
CID 9968582
4-Benzyl-4-dimethylamino-1-[2-(4-fluorophenyl)ethyl]cyclohexanol
CID 10108892
4-Benzyl-4-(dimethylamino)-1-[2-(3-fluorophenyl)ethyl]cyclohexan-1-ol
CID 10111078
4-(Dimethylamino)-4-[(4-fluorophenyl)methyl]-1-(2-phenylethyl)cyclohexan-1-ol
CID 10132889
4-Dimethylamino-4-(3-fluorophenyl)-1-(5-(triethylsilyl)pent-4-inyl)cyclohexanol
CID 131729990
4-Benzyl-4-(dimethylamino)-1-(2-phenylethyl)cyclohexan-1-ol;hydrochloride
CID 9951464
4-Benzyl-4-dimethylamino-1-phenethylcyclohexanol
CID 9951465
4-(Dimethylamino)-1,4-bis(2-phenylethyl)cyclohexan-1-ol;hydrochloride
CID 10157070
4-Dimethylamino-1,4-diphenethylcyclohexanol
CID 10157071

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-4-(dimethylamino)-1-(5-triethylsilylpent-4-ynyl)cyclohexan-1-ol?
The IUPAC name of 4-benzyl-4-(dimethylamino)-1-(5-triethylsilylpent-4-ynyl)cyclohexan-1-ol (CID 140539933) is 4-benzyl-4-(dimethylamino)-1-(5-triethylsilylpent-4-ynyl)cyclohexan-1-ol.
What is the SMILES notation for 4-benzyl-4-(dimethylamino)-1-(5-triethylsilylpent-4-ynyl)cyclohexan-1-ol?
The canonical SMILES for 4-benzyl-4-(dimethylamino)-1-(5-triethylsilylpent-4-ynyl)cyclohexan-1-ol is CC[Si](C#CCCCC1(O)CCC(Cc2ccccc2)(N(C)C)CC1)(CC)CC.
What is the InChIKey of 4-benzyl-4-(dimethylamino)-1-(5-triethylsilylpent-4-ynyl)cyclohexan-1-ol?
The InChIKey is DJPQAFWFHIYTQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H43NOSi/c1-6-29(7-2,8-3)22-14-10-13-17-26(28)20-18-25(19-21-26,27(4)5)23-24-15-11-9-12-16-24/h9,11-12,15-16,28H,6-8,10,13,17-21,23H2,1-5H3.
What are the key properties of 4-benzyl-4-(dimethylamino)-1-(5-triethylsilylpent-4-ynyl)cyclohexan-1-ol?
4-benzyl-4-(dimethylamino)-1-(5-triethylsilylpent-4-ynyl)cyclohexan-1-ol has a molecular weight of 413.72 g/mol, XLogP of 6.06, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-4-(dimethylamino)-1-(5-triethylsilylpent-4-ynyl)cyclohexan-1-ol is sourced from PubChem (CID 140539933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).