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

C19H34Cl2N2OSi — CID 123329230

IUPACN-[2-(3,5-dichloro-4-pyridinyl)-2-triethylsilyloxyethyl]-3,3-dimethylbutan-2-amine
SMILESCC[Si](CC)(CC)OC(CNC(C)C(C)(C)C)c1c(Cl)cncc1Cl
InChIInChI=1S/C19H34Cl2N2OSi/c1-8-25(9-2,10-3)24-17(13-23-14(4)19(5,6)7)18-15(20)11-22-12-16(18)21/h11-12,14,17,23H,8-10,13H2,1-7H3
InChIKeyGPEJIOVQXIXQBT-UHFFFAOYSA-N
MW405.49 g/mol
LogP6.48
Rot. Bonds9

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

N-[2-(3,5-dichloro-4-pyridinyl)-2-triethylsilyloxyethyl]-3,3-dimethylbutan-2-amine (PubChem CID 123329230) has the molecular formula C19H34Cl2N2OSi and a molecular weight of 405.49 g/mol. Its IUPAC name is N-[2-(3,5-dichloro-4-pyridinyl)-2-triethylsilyloxyethyl]-3,3-dimethylbutan-2-amine.

Molecular Properties

Compound NameN-[2-(3,5-dichloro-4-pyridinyl)-2-triethylsilyloxyethyl]-3,3-dimethylbutan-2-amine
PubChem CID123329230
Molecular FormulaC19H34Cl2N2OSi
Molecular Weight405.49 g/mol
Exact Mass404.18
IUPAC NameN-[2-(3,5-dichloro-4-pyridinyl)-2-triethylsilyloxyethyl]-3,3-dimethylbutan-2-amine
SMILESCC[Si](CC)(CC)OC(CNC(C)C(C)(C)C)c1c(Cl)cncc1Cl
InChIInChI=1S/C19H34Cl2N2OSi/c1-8-25(9-2,10-3)24-17(13-23-14(4)19(5,6)7)18-15(20)11-22-12-16(18)21/h11-12,14,17,23H,8-10,13H2,1-7H3
InChIKeyGPEJIOVQXIXQBT-UHFFFAOYSA-N
XLogP6.48
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.49
LogP ≤ 56.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3,5-dichloro-4-pyridinyl)-2-triethylsilyloxyethyl]-1-methoxypropan-2-amine
CID 123277485
[1-(3,5-dichloro-4-pyridinyl)-6,6-dimethylheptoxy]-triethylsilane
CID 157163157
N-[(2S)-2-(3,5-dichloro-4-pyridinyl)-2-triethylsilyloxyethyl]spiro[3.3]heptan-2-amine
CID 125493616
4-[[[2-(3,5-dichloro-4-pyridinyl)-2-triethylsilyloxyethyl]amino]methyl]-1-methylcyclohexan-1-ol
CID 123654554
[1-(3,5-dichloro-4-pyridinyl)-4-[(1R)-2,2-difluorocyclopropyl]butoxy]-triethylsilane
CID 160939533
[1-(3,5-dichloro-4-pyridinyl)-4-[(2S,5R)-5-methyloxolan-2-yl]butoxy]-triethylsilane
CID 157322699
2-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-triethylsilyloxyethanamine
CID 123999425
[1-(3-chloro-5-methyl-4-pyridinyl)-4-(4-fluorophenyl)butoxy]-triethylsilane
CID 158215374
[1-(3-chloro-5-methyl-4-pyridinyl)-3-[(1S,5R)-6,6-dimethyl-3-bicyclo[3.1.0]hexanyl]propoxy]-triethylsilane
CID 159162012
2-(3,5-dichloro-4-pyridinyl)-2-methoxyethanamine
CID 134466244
N-[2-(2,6-dichlorophenyl)-2-triethylsilyloxyethyl]spiro[3.3]heptan-3-amine
CID 123383749
(1R)-1-(3,5-dichloro-4-pyridinyl)-N-methylethanamine
CID 130667466

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dichloro-4-pyridinyl)-2-triethylsilyloxyethyl]-3,3-dimethylbutan-2-amine?
The IUPAC name of N-[2-(3,5-dichloro-4-pyridinyl)-2-triethylsilyloxyethyl]-3,3-dimethylbutan-2-amine (CID 123329230) is N-[2-(3,5-dichloro-4-pyridinyl)-2-triethylsilyloxyethyl]-3,3-dimethylbutan-2-amine.
What is the SMILES notation for N-[2-(3,5-dichloro-4-pyridinyl)-2-triethylsilyloxyethyl]-3,3-dimethylbutan-2-amine?
The canonical SMILES for N-[2-(3,5-dichloro-4-pyridinyl)-2-triethylsilyloxyethyl]-3,3-dimethylbutan-2-amine is CC[Si](CC)(CC)OC(CNC(C)C(C)(C)C)c1c(Cl)cncc1Cl.
What is the InChIKey of N-[2-(3,5-dichloro-4-pyridinyl)-2-triethylsilyloxyethyl]-3,3-dimethylbutan-2-amine?
The InChIKey is GPEJIOVQXIXQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34Cl2N2OSi/c1-8-25(9-2,10-3)24-17(13-23-14(4)19(5,6)7)18-15(20)11-22-12-16(18)21/h11-12,14,17,23H,8-10,13H2,1-7H3.
What are the key properties of N-[2-(3,5-dichloro-4-pyridinyl)-2-triethylsilyloxyethyl]-3,3-dimethylbutan-2-amine?
N-[2-(3,5-dichloro-4-pyridinyl)-2-triethylsilyloxyethyl]-3,3-dimethylbutan-2-amine has a molecular weight of 405.49 g/mol, XLogP of 6.48, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dichloro-4-pyridinyl)-2-triethylsilyloxyethyl]-3,3-dimethylbutan-2-amine is sourced from PubChem (CID 123329230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).