N-[2-(2,6-dichlorophenyl)-2-triethylsilyloxyethyl]spiro[3.3]heptan-3-amine

C21H33Cl2NOSi — CID 123383749

IUPACN-[2-(2,6-dichlorophenyl)-2-triethylsilyloxyethyl]spiro[3.3]heptan-3-amine
SMILESCC[Si](CC)(CC)OC(CNC1CCC12CCC2)c1c(Cl)cccc1Cl
InChIInChI=1S/C21H33Cl2NOSi/c1-4-26(5-2,6-3)25-18(20-16(22)9-7-10-17(20)23)15-24-19-11-14-21(19)12-8-13-21/h7,9-10,18-19,24H,4-6,8,11-15H2,1-3H3
InChIKeyPUPOSUILNDLZPO-UHFFFAOYSA-N
MW414.49 g/mol
LogP6.98
Rot. Bonds9

About N-[2-(2,6-dichlorophenyl)-2-triethylsilyloxyethyl]spiro[3.3]heptan-3-amine

N-[2-(2,6-dichlorophenyl)-2-triethylsilyloxyethyl]spiro[3.3]heptan-3-amine (PubChem CID 123383749) has the molecular formula C21H33Cl2NOSi and a molecular weight of 414.49 g/mol. Its IUPAC name is N-[2-(2,6-dichlorophenyl)-2-triethylsilyloxyethyl]spiro[3.3]heptan-3-amine.

Molecular Properties

Compound NameN-[2-(2,6-dichlorophenyl)-2-triethylsilyloxyethyl]spiro[3.3]heptan-3-amine
PubChem CID123383749
Molecular FormulaC21H33Cl2NOSi
Molecular Weight414.49 g/mol
Exact Mass413.17
IUPAC NameN-[2-(2,6-dichlorophenyl)-2-triethylsilyloxyethyl]spiro[3.3]heptan-3-amine
SMILESCC[Si](CC)(CC)OC(CNC1CCC12CCC2)c1c(Cl)cccc1Cl
InChIInChI=1S/C21H33Cl2NOSi/c1-4-26(5-2,6-3)25-18(20-16(22)9-7-10-17(20)23)15-24-19-11-14-21(19)12-8-13-21/h7,9-10,18-19,24H,4-6,8,11-15H2,1-3H3
InChIKeyPUPOSUILNDLZPO-UHFFFAOYSA-N
XLogP6.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.49
LogP ≤ 56.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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
N-[(2-chloro-6-methoxyphenyl)methyl]spiro[3.5]nonan-3-amine
CID 103292227
N-[2-(2,6-dichlorophenyl)-2-triethylsilyloxyethyl]-4-imino-2-methanimidoylbutan-1-amine
CID 123526328
2-(2-chloro-4,6-dimethylphenyl)-N-(spiro[2.5]octan-6-ylmethyl)-2-triethylsilyloxyethanamine
CID 123276173
N-(2,6-dichlorophenyl)spiro[3.5]nonan-3-amine
CID 102952018
2-(2,6-dichloro-4-methoxyphenyl)-N-[(3,3-dimethylcyclobutyl)methyl]-2-triethylsilyloxyethanamine
CID 123321199
2-(2-chloro-6-methoxyphenyl)-2-triethylsilyloxyethanamine
CID 123701807
1-(2,6-dichlorophenoxy)-3-[(2,2-dimethylcyclopentyl)amino]propan-2-ol
CID 79856856
1-(2-chloro-6-methoxyphenyl)ethoxy-triethylsilane
CID 123207858
N-(3-phenylbutyl)spiro[3.5]nonan-3-amine
CID 102951873
N-[2-(3,5-dichloro-4-pyridinyl)-2-triethylsilyloxyethyl]-3,3-dimethylbutan-2-amine
CID 123329230

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dichlorophenyl)-2-triethylsilyloxyethyl]spiro[3.3]heptan-3-amine?
The IUPAC name of N-[2-(2,6-dichlorophenyl)-2-triethylsilyloxyethyl]spiro[3.3]heptan-3-amine (CID 123383749) is N-[2-(2,6-dichlorophenyl)-2-triethylsilyloxyethyl]spiro[3.3]heptan-3-amine.
What is the SMILES notation for N-[2-(2,6-dichlorophenyl)-2-triethylsilyloxyethyl]spiro[3.3]heptan-3-amine?
The canonical SMILES for N-[2-(2,6-dichlorophenyl)-2-triethylsilyloxyethyl]spiro[3.3]heptan-3-amine is CC[Si](CC)(CC)OC(CNC1CCC12CCC2)c1c(Cl)cccc1Cl.
What is the InChIKey of N-[2-(2,6-dichlorophenyl)-2-triethylsilyloxyethyl]spiro[3.3]heptan-3-amine?
The InChIKey is PUPOSUILNDLZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33Cl2NOSi/c1-4-26(5-2,6-3)25-18(20-16(22)9-7-10-17(20)23)15-24-19-11-14-21(19)12-8-13-21/h7,9-10,18-19,24H,4-6,8,11-15H2,1-3H3.
What are the key properties of N-[2-(2,6-dichlorophenyl)-2-triethylsilyloxyethyl]spiro[3.3]heptan-3-amine?
N-[2-(2,6-dichlorophenyl)-2-triethylsilyloxyethyl]spiro[3.3]heptan-3-amine has a molecular weight of 414.49 g/mol, XLogP of 6.98, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dichlorophenyl)-2-triethylsilyloxyethyl]spiro[3.3]heptan-3-amine is sourced from PubChem (CID 123383749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).