CID 90108088

C14H21IN2O4Si2 — CID 90108088

IUPAC—
SMILESC[Si]OC(O[Si]C)C(C)(C)CCNc1ccc([N+](=O)[O-])cc1I
InChIInChI=1S/C14H21IN2O4Si2/c1-14(2,13(20-22-3)21-23-4)7-8-16-12-6-5-10(17(18)19)9-11(12)15/h5-6,9,13,16H,7-8H2,1-4H3
InChIKeyIYIQVBMCKWAOSY-UHFFFAOYSA-N
MW464.41 g/mol
LogP3.72
Rot. Bonds10

About CID 90108088

CID 90108088 (PubChem CID 90108088) has the molecular formula C14H21IN2O4Si2 and a molecular weight of 464.41 g/mol.

Molecular Properties

Compound NameCID 90108088
PubChem CID90108088
Molecular FormulaC14H21IN2O4Si2
Molecular Weight464.41 g/mol
Exact Mass464.01
IUPAC Name—
SMILESC[Si]OC(O[Si]C)C(C)(C)CCNc1ccc([N+](=O)[O-])cc1I
InChIInChI=1S/C14H21IN2O4Si2/c1-14(2,13(20-22-3)21-23-4)7-8-16-12-6-5-10(17(18)19)9-11(12)15/h5-6,9,13,16H,7-8H2,1-4H3
InChIKeyIYIQVBMCKWAOSY-UHFFFAOYSA-N
XLogP3.72
TPSA73.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.41
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(2-iodo-4-nitrophenyl)-N-propylethane-1,2-diamine
CID 66093913
N-(2-fluoroethyl)-2-iodo-4-nitroaniline
CID 130504221
N'-(2-iodo-4-nitrophenyl)ethane-1,2-diamine
CID 66093261
N-(2-iodo-4-nitrophenyl)-N',N'-dimethylpropane-1,3-diamine
CID 66094909
2-iodo-4-nitro-N-octylaniline
CID 115568882
2-iodo-N-[2-(2-methylprop-2-enoxy)ethyl]-4-nitroaniline
CID 114468800
2-iodo-4-nitro-N-prop-2-ynylaniline
CID 66093900
N-(3,3-dimethylbutyl)-2-methoxy-5-nitroaniline
CID 55211790
1,1,1-trifluoro-3-(2-iodo-4-nitroanilino)propan-2-ol
CID 114093681
1-(dimethylamino)-3-(2-iodo-4-nitroanilino)-2-methylpropan-2-ol
CID 106145416
2-iodo-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-nitroaniline
CID 106418550
N-[2-(4-aminophenyl)ethyl]-2-iodo-4-nitroaniline
CID 66094531

Frequently Asked Questions

What is the IUPAC name of CID 90108088?
The IUPAC name of CID 90108088 (CID 90108088) is not available.
What is the SMILES notation for CID 90108088?
The canonical SMILES for CID 90108088 is C[Si]OC(O[Si]C)C(C)(C)CCNc1ccc([N+](=O)[O-])cc1I.
What is the InChIKey of CID 90108088?
The InChIKey is IYIQVBMCKWAOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21IN2O4Si2/c1-14(2,13(20-22-3)21-23-4)7-8-16-12-6-5-10(17(18)19)9-11(12)15/h5-6,9,13,16H,7-8H2,1-4H3.
What are the key properties of CID 90108088?
CID 90108088 has a molecular weight of 464.41 g/mol, XLogP of 3.72, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90108088 is sourced from PubChem (CID 90108088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).