4-(dimethylamino)-1-[(2R)-2-methyl-3-(2-triethylsilyl-1H-indol-3-yl)propyl]-4-phenylcyclohexan-1-ol

C32H48N2OSi — CID 68629968

IUPAC4-(dimethylamino)-1-[(2R)-2-methyl-3-(2-triethylsilyl-1H-indol-3-yl)propyl]-4-phenylcyclohexan-1-ol
SMILESCC[Si](CC)(CC)c1[nH]c2ccccc2c1C[C@@H](C)CC1(O)CCC(c2ccccc2)(N(C)C)CC1
InChIInChI=1S/C32H48N2OSi/c1-7-36(8-2,9-3)30-28(27-17-13-14-18-29(27)33-30)23-25(4)24-31(35)19-21-32(22-20-31,34(5)6)26-15-11-10-12-16-26/h10-18,25,33,35H,7-9,19-24H2,1-6H3/t25-,31?,32?/m1/s1
InChIKeyQGJARKYEYWGCEN-VAOCFZCZSA-N
MW504.84 g/mol
LogP7.21
Rot. Bonds10

About 4-(dimethylamino)-1-[(2R)-2-methyl-3-(2-triethylsilyl-1H-indol-3-yl)propyl]-4-phenylcyclohexan-1-ol

4-(dimethylamino)-1-[(2R)-2-methyl-3-(2-triethylsilyl-1H-indol-3-yl)propyl]-4-phenylcyclohexan-1-ol (PubChem CID 68629968) has the molecular formula C32H48N2OSi and a molecular weight of 504.84 g/mol. Its IUPAC name is 4-(dimethylamino)-1-[(2R)-2-methyl-3-(2-triethylsilyl-1H-indol-3-yl)propyl]-4-phenylcyclohexan-1-ol.

Molecular Properties

Compound Name4-(dimethylamino)-1-[(2R)-2-methyl-3-(2-triethylsilyl-1H-indol-3-yl)propyl]-4-phenylcyclohexan-1-ol
PubChem CID68629968
Molecular FormulaC32H48N2OSi
Molecular Weight504.84 g/mol
Exact Mass504.35
IUPAC Name4-(dimethylamino)-1-[(2R)-2-methyl-3-(2-triethylsilyl-1H-indol-3-yl)propyl]-4-phenylcyclohexan-1-ol
SMILESCC[Si](CC)(CC)c1[nH]c2ccccc2c1C[C@@H](C)CC1(O)CCC(c2ccccc2)(N(C)C)CC1
InChIInChI=1S/C32H48N2OSi/c1-7-36(8-2,9-3)30-28(27-17-13-14-18-29(27)33-30)23-25(4)24-31(35)19-21-32(22-20-31,34(5)6)26-15-11-10-12-16-26/h10-18,25,33,35H,7-9,19-24H2,1-6H3/t25-,31?,32?/m1/s1
InChIKeyQGJARKYEYWGCEN-VAOCFZCZSA-N
XLogP7.21
TPSA39.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.84
LogP ≤ 57.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-1-[(2R)-2-methyl-3-(2-triethylsilyl-1H-indol-3-yl)propyl]-4-phenylcyclohexan-1-ol?
The IUPAC name of 4-(dimethylamino)-1-[(2R)-2-methyl-3-(2-triethylsilyl-1H-indol-3-yl)propyl]-4-phenylcyclohexan-1-ol (CID 68629968) is 4-(dimethylamino)-1-[(2R)-2-methyl-3-(2-triethylsilyl-1H-indol-3-yl)propyl]-4-phenylcyclohexan-1-ol.
What is the SMILES notation for 4-(dimethylamino)-1-[(2R)-2-methyl-3-(2-triethylsilyl-1H-indol-3-yl)propyl]-4-phenylcyclohexan-1-ol?
The canonical SMILES for 4-(dimethylamino)-1-[(2R)-2-methyl-3-(2-triethylsilyl-1H-indol-3-yl)propyl]-4-phenylcyclohexan-1-ol is CC[Si](CC)(CC)c1[nH]c2ccccc2c1C[C@@H](C)CC1(O)CCC(c2ccccc2)(N(C)C)CC1.
What is the InChIKey of 4-(dimethylamino)-1-[(2R)-2-methyl-3-(2-triethylsilyl-1H-indol-3-yl)propyl]-4-phenylcyclohexan-1-ol?
The InChIKey is QGJARKYEYWGCEN-VAOCFZCZSA-N. The full InChI is InChI=1S/C32H48N2OSi/c1-7-36(8-2,9-3)30-28(27-17-13-14-18-29(27)33-30)23-25(4)24-31(35)19-21-32(22-20-31,34(5)6)26-15-11-10-12-16-26/h10-18,25,33,35H,7-9,19-24H2,1-6H3/t25-,31?,32?/m1/s1.
What are the key properties of 4-(dimethylamino)-1-[(2R)-2-methyl-3-(2-triethylsilyl-1H-indol-3-yl)propyl]-4-phenylcyclohexan-1-ol?
4-(dimethylamino)-1-[(2R)-2-methyl-3-(2-triethylsilyl-1H-indol-3-yl)propyl]-4-phenylcyclohexan-1-ol has a molecular weight of 504.84 g/mol, XLogP of 7.21, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-1-[(2R)-2-methyl-3-(2-triethylsilyl-1H-indol-3-yl)propyl]-4-phenylcyclohexan-1-ol is sourced from PubChem (CID 68629968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).