4-[[[2-(3,5-dichloro-4-pyridinyl)-2-triethylsilyloxyethyl]amino]methyl]-1-methylcyclohexan-1-ol

C21H36Cl2N2O2Si — CID 123654554

IUPAC4-[[[2-(3,5-dichloro-4-pyridinyl)-2-triethylsilyloxyethyl]amino]methyl]-1-methylcyclohexan-1-ol
SMILESCC[Si](CC)(CC)OC(CNCC1CCC(C)(O)CC1)c1c(Cl)cncc1Cl
InChIInChI=1S/C21H36Cl2N2O2Si/c1-5-28(6-2,7-3)27-19(20-17(22)13-25-14-18(20)23)15-24-12-16-8-10-21(4,26)11-9-16/h13-14,16,19,24,26H,5-12,15H2,1-4H3
InChIKeyMJMQHQGJJOXPTQ-UHFFFAOYSA-N
MW447.52 g/mol
LogP5.98
Rot. Bonds10

About 4-[[[2-(3,5-dichloro-4-pyridinyl)-2-triethylsilyloxyethyl]amino]methyl]-1-methylcyclohexan-1-ol

4-[[[2-(3,5-dichloro-4-pyridinyl)-2-triethylsilyloxyethyl]amino]methyl]-1-methylcyclohexan-1-ol (PubChem CID 123654554) has the molecular formula C21H36Cl2N2O2Si and a molecular weight of 447.52 g/mol. Its IUPAC name is 4-[[[2-(3,5-dichloro-4-pyridinyl)-2-triethylsilyloxyethyl]amino]methyl]-1-methylcyclohexan-1-ol.

Molecular Properties

Compound Name4-[[[2-(3,5-dichloro-4-pyridinyl)-2-triethylsilyloxyethyl]amino]methyl]-1-methylcyclohexan-1-ol
PubChem CID123654554
Molecular FormulaC21H36Cl2N2O2Si
Molecular Weight447.52 g/mol
Exact Mass446.19
IUPAC Name4-[[[2-(3,5-dichloro-4-pyridinyl)-2-triethylsilyloxyethyl]amino]methyl]-1-methylcyclohexan-1-ol
SMILESCC[Si](CC)(CC)OC(CNCC1CCC(C)(O)CC1)c1c(Cl)cncc1Cl
InChIInChI=1S/C21H36Cl2N2O2Si/c1-5-28(6-2,7-3)27-19(20-17(22)13-25-14-18(20)23)15-24-12-16-8-10-21(4,26)11-9-16/h13-14,16,19,24,26H,5-12,15H2,1-4H3
InChIKeyMJMQHQGJJOXPTQ-UHFFFAOYSA-N
XLogP5.98
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.52
LogP ≤ 55.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[[[2-(3,5-dichloro-4-pyridinyl)-2-triethylsilyloxyethyl]amino]methyl]-1-methylcyclohexan-1-ol?
The IUPAC name of 4-[[[2-(3,5-dichloro-4-pyridinyl)-2-triethylsilyloxyethyl]amino]methyl]-1-methylcyclohexan-1-ol (CID 123654554) is 4-[[[2-(3,5-dichloro-4-pyridinyl)-2-triethylsilyloxyethyl]amino]methyl]-1-methylcyclohexan-1-ol.
What is the SMILES notation for 4-[[[2-(3,5-dichloro-4-pyridinyl)-2-triethylsilyloxyethyl]amino]methyl]-1-methylcyclohexan-1-ol?
The canonical SMILES for 4-[[[2-(3,5-dichloro-4-pyridinyl)-2-triethylsilyloxyethyl]amino]methyl]-1-methylcyclohexan-1-ol is CC[Si](CC)(CC)OC(CNCC1CCC(C)(O)CC1)c1c(Cl)cncc1Cl.
What is the InChIKey of 4-[[[2-(3,5-dichloro-4-pyridinyl)-2-triethylsilyloxyethyl]amino]methyl]-1-methylcyclohexan-1-ol?
The InChIKey is MJMQHQGJJOXPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36Cl2N2O2Si/c1-5-28(6-2,7-3)27-19(20-17(22)13-25-14-18(20)23)15-24-12-16-8-10-21(4,26)11-9-16/h13-14,16,19,24,26H,5-12,15H2,1-4H3.
What are the key properties of 4-[[[2-(3,5-dichloro-4-pyridinyl)-2-triethylsilyloxyethyl]amino]methyl]-1-methylcyclohexan-1-ol?
4-[[[2-(3,5-dichloro-4-pyridinyl)-2-triethylsilyloxyethyl]amino]methyl]-1-methylcyclohexan-1-ol has a molecular weight of 447.52 g/mol, XLogP of 5.98, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-(3,5-dichloro-4-pyridinyl)-2-triethylsilyloxyethyl]amino]methyl]-1-methylcyclohexan-1-ol is sourced from PubChem (CID 123654554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).