N-[(2S)-2-(3,5-dichloro-4-pyridinyl)-2-triethylsilyloxyethyl]spiro[3.3]heptan-2-amine

C20H32Cl2N2OSi — CID 125493616

IUPACN-[(2S)-2-(3,5-dichloro-4-pyridinyl)-2-triethylsilyloxyethyl]spiro[3.3]heptan-2-amine
SMILESCC[Si](CC)(CC)O[C@H](CNC1CC2(CCC2)C1)c1c(Cl)cncc1Cl
InChIInChI=1S/C20H32Cl2N2OSi/c1-4-26(5-2,6-3)25-18(19-16(21)12-23-13-17(19)22)14-24-15-10-20(11-15)8-7-9-20/h12-13,15,18,24H,4-11,14H2,1-3H3/t18-/m1/s1
InChIKeyPXCYVPFKVCCYLV-GOSISDBHSA-N
MW415.48 g/mol
LogP6.37
Rot. Bonds9

About N-[(2S)-2-(3,5-dichloro-4-pyridinyl)-2-triethylsilyloxyethyl]spiro[3.3]heptan-2-amine

N-[(2S)-2-(3,5-dichloro-4-pyridinyl)-2-triethylsilyloxyethyl]spiro[3.3]heptan-2-amine (PubChem CID 125493616) has the molecular formula C20H32Cl2N2OSi and a molecular weight of 415.48 g/mol. Its IUPAC name is N-[(2S)-2-(3,5-dichloro-4-pyridinyl)-2-triethylsilyloxyethyl]spiro[3.3]heptan-2-amine.

Molecular Properties

Compound NameN-[(2S)-2-(3,5-dichloro-4-pyridinyl)-2-triethylsilyloxyethyl]spiro[3.3]heptan-2-amine
PubChem CID125493616
Molecular FormulaC20H32Cl2N2OSi
Molecular Weight415.48 g/mol
Exact Mass414.17
IUPAC NameN-[(2S)-2-(3,5-dichloro-4-pyridinyl)-2-triethylsilyloxyethyl]spiro[3.3]heptan-2-amine
SMILESCC[Si](CC)(CC)O[C@H](CNC1CC2(CCC2)C1)c1c(Cl)cncc1Cl
InChIInChI=1S/C20H32Cl2N2OSi/c1-4-26(5-2,6-3)25-18(19-16(21)12-23-13-17(19)22)14-24-15-10-20(11-15)8-7-9-20/h12-13,15,18,24H,4-11,14H2,1-3H3/t18-/m1/s1
InChIKeyPXCYVPFKVCCYLV-GOSISDBHSA-N
XLogP6.37
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.48
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(2S)-2-(3,5-dichloro-4-pyridinyl)-2-triethylsilyloxyethyl]spiro[3.3]heptan-2-amine?
The IUPAC name of N-[(2S)-2-(3,5-dichloro-4-pyridinyl)-2-triethylsilyloxyethyl]spiro[3.3]heptan-2-amine (CID 125493616) is N-[(2S)-2-(3,5-dichloro-4-pyridinyl)-2-triethylsilyloxyethyl]spiro[3.3]heptan-2-amine.
What is the SMILES notation for N-[(2S)-2-(3,5-dichloro-4-pyridinyl)-2-triethylsilyloxyethyl]spiro[3.3]heptan-2-amine?
The canonical SMILES for N-[(2S)-2-(3,5-dichloro-4-pyridinyl)-2-triethylsilyloxyethyl]spiro[3.3]heptan-2-amine is CC[Si](CC)(CC)O[C@H](CNC1CC2(CCC2)C1)c1c(Cl)cncc1Cl.
What is the InChIKey of N-[(2S)-2-(3,5-dichloro-4-pyridinyl)-2-triethylsilyloxyethyl]spiro[3.3]heptan-2-amine?
The InChIKey is PXCYVPFKVCCYLV-GOSISDBHSA-N. The full InChI is InChI=1S/C20H32Cl2N2OSi/c1-4-26(5-2,6-3)25-18(19-16(21)12-23-13-17(19)22)14-24-15-10-20(11-15)8-7-9-20/h12-13,15,18,24H,4-11,14H2,1-3H3/t18-/m1/s1.
What are the key properties of N-[(2S)-2-(3,5-dichloro-4-pyridinyl)-2-triethylsilyloxyethyl]spiro[3.3]heptan-2-amine?
N-[(2S)-2-(3,5-dichloro-4-pyridinyl)-2-triethylsilyloxyethyl]spiro[3.3]heptan-2-amine has a molecular weight of 415.48 g/mol, XLogP of 6.37, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(3,5-dichloro-4-pyridinyl)-2-triethylsilyloxyethyl]spiro[3.3]heptan-2-amine is sourced from PubChem (CID 125493616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).