N,N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-ethylaniline;bis(tert-butylsulfonylmethylcyclohexane);5-ethyl-1H-indole;4-ethyl-2-methanimidoylaniline;4-ethyl-N-phenylaniline;2-(4-ethylphenyl)-2-hydrazinylideneethanethial;2-(4-ethylphenyl)tetrazole;tetrakis(methylcyclohexane);tetrakis(2-methylpropane-2-sulfinate)

C142H243N11O14S7Si2-4 — CID 161192638

IUPACN,N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-ethylaniline;bis(tert-butylsulfonylmethylcyclohexane);5-ethyl-1H-indole;4-ethyl-2-methanimidoylaniline;4-ethyl-N-phenylaniline;2-(4-ethylphenyl)-2-hydrazinylideneethanethial;2-(4-ethylphenyl)tetrazole;tetrakis(methylcyclohexane);tetrakis(2-methylpropane-2-sulfinate)
SMILESCC(C)(C)S(=O)(=O)CC1CCCCC1.CC(C)(C)S(=O)(=O)CC1CCCCC1.CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC1CCCCC1.CC1CCCCC1.CC1CCCCC1.CC1CCCCC1.CCc1ccc(-n2ncnn2)cc1.CCc1ccc(C(C=S)=NN)cc1.CCc1ccc(N(CCO[Si](C)(C)C(C)(C)C)CCO[Si](C)(C)C(C)(C)C)cc1.CCc1ccc(Nc2ccccc2)cc1.CCc1ccc2[nH]ccc2c1.[H]/N=C/c1cc(CC)ccc1N
InChIInChI=1S/C24H47NO2Si2.C14H15N.2C11H22O2S.C10H12N2S.C10H11N.C9H10N4.C9H12N2.4C7H14.4C4H10O2S/c1-12-21-13-15-22(16-14-21)25(17-19-26-28(8,9)23(2,3)4)18-20-27-29(10,11)24(5,6)7;1-2-12-8-10-14(11-9-12)15-13-6-4-3-5-7-13;2*1-11(2,3)14(12,13)9-10-7-5-4-6-8-10;1-2-8-3-5-9(6-4-8)10(7-13)12-11;1-2-8-3-4-10-9(7-8)5-6-11-10;1-2-8-3-5-9(6-4-8)13-11-7-10-12-13;1-2-7-3-4-9(11)8(5-7)6-10;4*1-7-5-3-2-4-6-7;4*1-4(2,3)7(5)6/h13-16H,12,17-20H2,1-11H3;3-11,15H,2H2,1H3;2*10H,4-9H2,1-3H3;3-7H,2,11H2,1H3;3-7,11H,2H2,1H3;3-7H,2H2,1H3;3-6,10H,2,11H2,1H3;4*7H,2-6H2,1H3;4*1-3H3,(H,5,6)/p-4/b;;;;;;;10-6+;;;;;;;;
InChIKeyASYNIFCVNZJAGX-FGLIECGBSA-J
MW2609.21 g/mol
LogP37.35
Rot. Bonds25

About N,N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-ethylaniline;bis(tert-butylsulfonylmethylcyclohexane);5-ethyl-1H-indole;4-ethyl-2-methanimidoylaniline;4-ethyl-N-phenylaniline;2-(4-ethylphenyl)-2-hydrazinylideneethanethial;2-(4-ethylphenyl)tetrazole;tetrakis(methylcyclohexane);tetrakis(2-methylpropane-2-sulfinate)

N,N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-ethylaniline;bis(tert-butylsulfonylmethylcyclohexane);5-ethyl-1H-indole;4-ethyl-2-methanimidoylaniline;4-ethyl-N-phenylaniline;2-(4-ethylphenyl)-2-hydrazinylideneethanethial;2-(4-ethylphenyl)tetrazole;tetrakis(methylcyclohexane);tetrakis(2-methylpropane-2-sulfinate) (PubChem CID 161192638) has the molecular formula C142H243N11O14S7Si2-4 and a molecular weight of 2609.21 g/mol. Its IUPAC name is N,N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-ethylaniline;bis(tert-butylsulfonylmethylcyclohexane);5-ethyl-1H-indole;4-ethyl-2-methanimidoylaniline;4-ethyl-N-phenylaniline;2-(4-ethylphenyl)-2-hydrazinylideneethanethial;2-(4-ethylphenyl)tetrazole;tetrakis(methylcyclohexane);tetrakis(2-methylpropane-2-sulfinate).

Molecular Properties

Compound NameN,N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-ethylaniline;bis(tert-butylsulfonylmethylcyclohexane);5-ethyl-1H-indole;4-ethyl-2-methanimidoylaniline;4-ethyl-N-phenylaniline;2-(4-ethylphenyl)-2-hydrazinylideneethanethial;2-(4-ethylphenyl)tetrazole;tetrakis(methylcyclohexane);tetrakis(2-methylpropane-2-sulfinate)
PubChem CID161192638
Molecular FormulaC142H243N11O14S7Si2-4
Molecular Weight2609.21 g/mol
Exact Mass2606.62
IUPAC NameN,N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-ethylaniline;bis(tert-butylsulfonylmethylcyclohexane);5-ethyl-1H-indole;4-ethyl-2-methanimidoylaniline;4-ethyl-N-phenylaniline;2-(4-ethylphenyl)-2-hydrazinylideneethanethial;2-(4-ethylphenyl)tetrazole;tetrakis(methylcyclohexane);tetrakis(2-methylpropane-2-sulfinate)
SMILESCC(C)(C)S(=O)(=O)CC1CCCCC1.CC(C)(C)S(=O)(=O)CC1CCCCC1.CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC1CCCCC1.CC1CCCCC1.CC1CCCCC1.CC1CCCCC1.CCc1ccc(-n2ncnn2)cc1.CCc1ccc(C(C=S)=NN)cc1.CCc1ccc(N(CCO[Si](C)(C)C(C)(C)C)CCO[Si](C)(C)C(C)(C)C)cc1.CCc1ccc(Nc2ccccc2)cc1.CCc1ccc2[nH]ccc2c1.[H]/N=C/c1cc(CC)ccc1N
InChIInChI=1S/C24H47NO2Si2.C14H15N.2C11H22O2S.C10H12N2S.C10H11N.C9H10N4.C9H12N2.4C7H14.4C4H10O2S/c1-12-21-13-15-22(16-14-21)25(17-19-26-28(8,9)23(2,3)4)18-20-27-29(10,11)24(5,6)7;1-2-12-8-10-14(11-9-12)15-13-6-4-3-5-7-13;2*1-11(2,3)14(12,13)9-10-7-5-4-6-8-10;1-2-8-3-5-9(6-4-8)10(7-13)12-11;1-2-8-3-4-10-9(7-8)5-6-11-10;1-2-8-3-5-9(6-4-8)13-11-7-10-12-13;1-2-7-3-4-9(11)8(5-7)6-10;4*1-7-5-3-2-4-6-7;4*1-4(2,3)7(5)6/h13-16H,12,17-20H2,1-11H3;3-11,15H,2H2,1H3;2*10H,4-9H2,1-3H3;3-7H,2,11H2,1H3;3-7,11H,2H2,1H3;3-7H,2H2,1H3;3-6,10H,2,11H2,1H3;4*7H,2-6H2,1H3;4*1-3H3,(H,5,6)/p-4/b;;;;;;;10-6+;;;;;;;;
InChIKeyASYNIFCVNZJAGX-FGLIECGBSA-J
XLogP37.35
TPSA410.17 Ų
H-Bond Donors5
H-Bond Acceptors25
Rotatable Bonds25
Heavy Atoms176
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002609.21
LogP ≤ 537.35
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-ethylaniline;bis(tert-butylsulfonylmethylcyclohexane);5-ethyl-1H-indole;4-ethyl-2-methanimidoylaniline;4-ethyl-N-phenylaniline;2-(4-ethylphenyl)-2-hydrazinylideneethanethial;2-(4-ethylphenyl)tetrazole;tetrakis(methylcyclohexane);tetrakis(2-methylpropane-2-sulfinate)?
The IUPAC name of N,N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-ethylaniline;bis(tert-butylsulfonylmethylcyclohexane);5-ethyl-1H-indole;4-ethyl-2-methanimidoylaniline;4-ethyl-N-phenylaniline;2-(4-ethylphenyl)-2-hydrazinylideneethanethial;2-(4-ethylphenyl)tetrazole;tetrakis(methylcyclohexane);tetrakis(2-methylpropane-2-sulfinate) (CID 161192638) is N,N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-ethylaniline;bis(tert-butylsulfonylmethylcyclohexane);5-ethyl-1H-indole;4-ethyl-2-methanimidoylaniline;4-ethyl-N-phenylaniline;2-(4-ethylphenyl)-2-hydrazinylideneethanethial;2-(4-ethylphenyl)tetrazole;tetrakis(methylcyclohexane);tetrakis(2-methylpropane-2-sulfinate).
What is the SMILES notation for N,N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-ethylaniline;bis(tert-butylsulfonylmethylcyclohexane);5-ethyl-1H-indole;4-ethyl-2-methanimidoylaniline;4-ethyl-N-phenylaniline;2-(4-ethylphenyl)-2-hydrazinylideneethanethial;2-(4-ethylphenyl)tetrazole;tetrakis(methylcyclohexane);tetrakis(2-methylpropane-2-sulfinate)?
The canonical SMILES for N,N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-ethylaniline;bis(tert-butylsulfonylmethylcyclohexane);5-ethyl-1H-indole;4-ethyl-2-methanimidoylaniline;4-ethyl-N-phenylaniline;2-(4-ethylphenyl)-2-hydrazinylideneethanethial;2-(4-ethylphenyl)tetrazole;tetrakis(methylcyclohexane);tetrakis(2-methylpropane-2-sulfinate) is CC(C)(C)S(=O)(=O)CC1CCCCC1.CC(C)(C)S(=O)(=O)CC1CCCCC1.CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC1CCCCC1.CC1CCCCC1.CC1CCCCC1.CC1CCCCC1.CCc1ccc(-n2ncnn2)cc1.CCc1ccc(C(C=S)=NN)cc1.CCc1ccc(N(CCO[Si](C)(C)C(C)(C)C)CCO[Si](C)(C)C(C)(C)C)cc1.CCc1ccc(Nc2ccccc2)cc1.CCc1ccc2[nH]ccc2c1.[H]/N=C/c1cc(CC)ccc1N.
What is the InChIKey of N,N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-ethylaniline;bis(tert-butylsulfonylmethylcyclohexane);5-ethyl-1H-indole;4-ethyl-2-methanimidoylaniline;4-ethyl-N-phenylaniline;2-(4-ethylphenyl)-2-hydrazinylideneethanethial;2-(4-ethylphenyl)tetrazole;tetrakis(methylcyclohexane);tetrakis(2-methylpropane-2-sulfinate)?
The InChIKey is ASYNIFCVNZJAGX-FGLIECGBSA-J. The full InChI is InChI=1S/C24H47NO2Si2.C14H15N.2C11H22O2S.C10H12N2S.C10H11N.C9H10N4.C9H12N2.4C7H14.4C4H10O2S/c1-12-21-13-15-22(16-14-21)25(17-19-26-28(8,9)23(2,3)4)18-20-27-29(10,11)24(5,6)7;1-2-12-8-10-14(11-9-12)15-13-6-4-3-5-7-13;2*1-11(2,3)14(12,13)9-10-7-5-4-6-8-10;1-2-8-3-5-9(6-4-8)10(7-13)12-11;1-2-8-3-4-10-9(7-8)5-6-11-10;1-2-8-3-5-9(6-4-8)13-11-7-10-12-13;1-2-7-3-4-9(11)8(5-7)6-10;4*1-7-5-3-2-4-6-7;4*1-4(2,3)7(5)6/h13-16H,12,17-20H2,1-11H3;3-11,15H,2H2,1H3;2*10H,4-9H2,1-3H3;3-7H,2,11H2,1H3;3-7,11H,2H2,1H3;3-7H,2H2,1H3;3-6,10H,2,11H2,1H3;4*7H,2-6H2,1H3;4*1-3H3,(H,5,6)/p-4/b;;;;;;;10-6+;;;;;;;;.
What are the key properties of N,N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-ethylaniline;bis(tert-butylsulfonylmethylcyclohexane);5-ethyl-1H-indole;4-ethyl-2-methanimidoylaniline;4-ethyl-N-phenylaniline;2-(4-ethylphenyl)-2-hydrazinylideneethanethial;2-(4-ethylphenyl)tetrazole;tetrakis(methylcyclohexane);tetrakis(2-methylpropane-2-sulfinate)?
N,N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-ethylaniline;bis(tert-butylsulfonylmethylcyclohexane);5-ethyl-1H-indole;4-ethyl-2-methanimidoylaniline;4-ethyl-N-phenylaniline;2-(4-ethylphenyl)-2-hydrazinylideneethanethial;2-(4-ethylphenyl)tetrazole;tetrakis(methylcyclohexane);tetrakis(2-methylpropane-2-sulfinate) has a molecular weight of 2609.21 g/mol, XLogP of 37.35, 25 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-ethylaniline;bis(tert-butylsulfonylmethylcyclohexane);5-ethyl-1H-indole;4-ethyl-2-methanimidoylaniline;4-ethyl-N-phenylaniline;2-(4-ethylphenyl)-2-hydrazinylideneethanethial;2-(4-ethylphenyl)tetrazole;tetrakis(methylcyclohexane);tetrakis(2-methylpropane-2-sulfinate) is sourced from PubChem (CID 161192638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).