N-[2-(3,5-dichloro-4-pyridinyl)-2-triethylsilyloxyethyl]-1-methoxypropan-2-amine

C17H30Cl2N2O2Si — CID 123277485

IUPACN-[2-(3,5-dichloro-4-pyridinyl)-2-triethylsilyloxyethyl]-1-methoxypropan-2-amine
SMILESCC[Si](CC)(CC)OC(CNC(C)COC)c1c(Cl)cncc1Cl
InChIInChI=1S/C17H30Cl2N2O2Si/c1-6-24(7-2,8-3)23-16(11-21-13(4)12-22-5)17-14(18)9-20-10-15(17)19/h9-10,13,16,21H,6-8,11-12H2,1-5H3
InChIKeyNWSHFMHACZBJIX-UHFFFAOYSA-N
MW393.43 g/mol
LogP5.08
Rot. Bonds11

About N-[2-(3,5-dichloro-4-pyridinyl)-2-triethylsilyloxyethyl]-1-methoxypropan-2-amine

N-[2-(3,5-dichloro-4-pyridinyl)-2-triethylsilyloxyethyl]-1-methoxypropan-2-amine (PubChem CID 123277485) has the molecular formula C17H30Cl2N2O2Si and a molecular weight of 393.43 g/mol. Its IUPAC name is N-[2-(3,5-dichloro-4-pyridinyl)-2-triethylsilyloxyethyl]-1-methoxypropan-2-amine.

Molecular Properties

Compound NameN-[2-(3,5-dichloro-4-pyridinyl)-2-triethylsilyloxyethyl]-1-methoxypropan-2-amine
PubChem CID123277485
Molecular FormulaC17H30Cl2N2O2Si
Molecular Weight393.43 g/mol
Exact Mass392.15
IUPAC NameN-[2-(3,5-dichloro-4-pyridinyl)-2-triethylsilyloxyethyl]-1-methoxypropan-2-amine
SMILESCC[Si](CC)(CC)OC(CNC(C)COC)c1c(Cl)cncc1Cl
InChIInChI=1S/C17H30Cl2N2O2Si/c1-6-24(7-2,8-3)23-16(11-21-13(4)12-22-5)17-14(18)9-20-10-15(17)19/h9-10,13,16,21H,6-8,11-12H2,1-5H3
InChIKeyNWSHFMHACZBJIX-UHFFFAOYSA-N
XLogP5.08
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.43
LogP ≤ 55.08
H-Bond Donors ≤ 51
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 N-[2-(3,5-dichloro-4-pyridinyl)-2-triethylsilyloxyethyl]-1-methoxypropan-2-amine?
The IUPAC name of N-[2-(3,5-dichloro-4-pyridinyl)-2-triethylsilyloxyethyl]-1-methoxypropan-2-amine (CID 123277485) is N-[2-(3,5-dichloro-4-pyridinyl)-2-triethylsilyloxyethyl]-1-methoxypropan-2-amine.
What is the SMILES notation for N-[2-(3,5-dichloro-4-pyridinyl)-2-triethylsilyloxyethyl]-1-methoxypropan-2-amine?
The canonical SMILES for N-[2-(3,5-dichloro-4-pyridinyl)-2-triethylsilyloxyethyl]-1-methoxypropan-2-amine is CC[Si](CC)(CC)OC(CNC(C)COC)c1c(Cl)cncc1Cl.
What is the InChIKey of N-[2-(3,5-dichloro-4-pyridinyl)-2-triethylsilyloxyethyl]-1-methoxypropan-2-amine?
The InChIKey is NWSHFMHACZBJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30Cl2N2O2Si/c1-6-24(7-2,8-3)23-16(11-21-13(4)12-22-5)17-14(18)9-20-10-15(17)19/h9-10,13,16,21H,6-8,11-12H2,1-5H3.
What are the key properties of N-[2-(3,5-dichloro-4-pyridinyl)-2-triethylsilyloxyethyl]-1-methoxypropan-2-amine?
N-[2-(3,5-dichloro-4-pyridinyl)-2-triethylsilyloxyethyl]-1-methoxypropan-2-amine has a molecular weight of 393.43 g/mol, XLogP of 5.08, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dichloro-4-pyridinyl)-2-triethylsilyloxyethyl]-1-methoxypropan-2-amine is sourced from PubChem (CID 123277485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).