1-N-[(4-aminocyclohexyl)methyl]-4-N,4-N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]benzene-1,4-diamine;N-[(4-aminocyclohexyl)methyl]-1H-indazol-5-amine;N-[(4-aminocyclohexyl)methyl]-1H-indol-5-amine;1-N-[(4-aminocyclohexyl)methyl]-4-N-phenylbenzene-1,4-diamine;N-[(4-aminocyclohexyl)methyl]-4-(tetrazol-2-yl)aniline;N-[(4-aminocyclohexyl)methyl]-4-(thiadiazol-4-yl)aniline;hexakis(2-methylpropane-2-sulfinate)

C130H217N23O14S7Si2-6 — CID 159601467

IUPAC1-N-[(4-aminocyclohexyl)methyl]-4-N,4-N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]benzene-1,4-diamine;N-[(4-aminocyclohexyl)methyl]-1H-indazol-5-amine;N-[(4-aminocyclohexyl)methyl]-1H-indol-5-amine;1-N-[(4-aminocyclohexyl)methyl]-4-N-phenylbenzene-1,4-diamine;N-[(4-aminocyclohexyl)methyl]-4-(tetrazol-2-yl)aniline;N-[(4-aminocyclohexyl)methyl]-4-(thiadiazol-4-yl)aniline;hexakis(2-methylpropane-2-sulfinate)
SMILESCC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)[Si](C)(C)OCCN(CCO[Si](C)(C)C(C)(C)C)c1ccc(NCC2CCC(N)CC2)cc1.NC1CCC(CNc2ccc(-c3csnn3)cc2)CC1.NC1CCC(CNc2ccc(-n3ncnn3)cc2)CC1.NC1CCC(CNc2ccc(Nc3ccccc3)cc2)CC1.NC1CCC(CNc2ccc3[nH]ccc3c2)CC1.NC1CCC(CNc2ccc3[nH]ncc3c2)CC1
InChIInChI=1S/C29H57N3O2Si2.C19H25N3.C15H20N4S.C15H21N3.C14H20N6.C14H20N4.6C4H10O2S/c1-28(2,3)35(7,8)33-21-19-32(20-22-34-36(9,10)29(4,5)6)27-17-15-26(16-18-27)31-23-24-11-13-25(30)14-12-24;20-16-8-6-15(7-9-16)14-21-17-10-12-19(13-11-17)22-18-4-2-1-3-5-18;16-13-5-1-11(2-6-13)9-17-14-7-3-12(4-8-14)15-10-20-19-18-15;16-13-3-1-11(2-4-13)10-18-14-5-6-15-12(9-14)7-8-17-15;15-12-3-1-11(2-4-12)9-16-13-5-7-14(8-6-13)20-18-10-17-19-20;15-12-3-1-10(2-4-12)8-16-13-5-6-14-11(7-13)9-17-18-14;6*1-4(2,3)7(5)6/h15-18,24-25,31H,11-14,19-23,30H2,1-10H3;1-5,10-13,15-16,21-22H,6-9,14,20H2;3-4,7-8,10-11,13,17H,1-2,5-6,9,16H2;5-9,11,13,17-18H,1-4,10,16H2;5-8,10-12,16H,1-4,9,15H2;5-7,9-10,12,16H,1-4,8,15H2,(H,17,18);6*1-3H3,(H,5,6)/p-6
InChIKeyUGNQZBXEVAOXFI-UHFFFAOYSA-H
MW2606.95 g/mol
LogP26.13
Rot. Bonds31

About 1-N-[(4-aminocyclohexyl)methyl]-4-N,4-N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]benzene-1,4-diamine;N-[(4-aminocyclohexyl)methyl]-1H-indazol-5-amine;N-[(4-aminocyclohexyl)methyl]-1H-indol-5-amine;1-N-[(4-aminocyclohexyl)methyl]-4-N-phenylbenzene-1,4-diamine;N-[(4-aminocyclohexyl)methyl]-4-(tetrazol-2-yl)aniline;N-[(4-aminocyclohexyl)methyl]-4-(thiadiazol-4-yl)aniline;hexakis(2-methylpropane-2-sulfinate)

1-N-[(4-aminocyclohexyl)methyl]-4-N,4-N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]benzene-1,4-diamine;N-[(4-aminocyclohexyl)methyl]-1H-indazol-5-amine;N-[(4-aminocyclohexyl)methyl]-1H-indol-5-amine;1-N-[(4-aminocyclohexyl)methyl]-4-N-phenylbenzene-1,4-diamine;N-[(4-aminocyclohexyl)methyl]-4-(tetrazol-2-yl)aniline;N-[(4-aminocyclohexyl)methyl]-4-(thiadiazol-4-yl)aniline;hexakis(2-methylpropane-2-sulfinate) (PubChem CID 159601467) has the molecular formula C130H217N23O14S7Si2-6 and a molecular weight of 2606.95 g/mol. Its IUPAC name is 1-N-[(4-aminocyclohexyl)methyl]-4-N,4-N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]benzene-1,4-diamine;N-[(4-aminocyclohexyl)methyl]-1H-indazol-5-amine;N-[(4-aminocyclohexyl)methyl]-1H-indol-5-amine;1-N-[(4-aminocyclohexyl)methyl]-4-N-phenylbenzene-1,4-diamine;N-[(4-aminocyclohexyl)methyl]-4-(tetrazol-2-yl)aniline;N-[(4-aminocyclohexyl)methyl]-4-(thiadiazol-4-yl)aniline;hexakis(2-methylpropane-2-sulfinate).

Molecular Properties

Compound Name1-N-[(4-aminocyclohexyl)methyl]-4-N,4-N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]benzene-1,4-diamine;N-[(4-aminocyclohexyl)methyl]-1H-indazol-5-amine;N-[(4-aminocyclohexyl)methyl]-1H-indol-5-amine;1-N-[(4-aminocyclohexyl)methyl]-4-N-phenylbenzene-1,4-diamine;N-[(4-aminocyclohexyl)methyl]-4-(tetrazol-2-yl)aniline;N-[(4-aminocyclohexyl)methyl]-4-(thiadiazol-4-yl)aniline;hexakis(2-methylpropane-2-sulfinate)
PubChem CID159601467
Molecular FormulaC130H217N23O14S7Si2-6
Molecular Weight2606.95 g/mol
Exact Mass2604.46
IUPAC Name1-N-[(4-aminocyclohexyl)methyl]-4-N,4-N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]benzene-1,4-diamine;N-[(4-aminocyclohexyl)methyl]-1H-indazol-5-amine;N-[(4-aminocyclohexyl)methyl]-1H-indol-5-amine;1-N-[(4-aminocyclohexyl)methyl]-4-N-phenylbenzene-1,4-diamine;N-[(4-aminocyclohexyl)methyl]-4-(tetrazol-2-yl)aniline;N-[(4-aminocyclohexyl)methyl]-4-(thiadiazol-4-yl)aniline;hexakis(2-methylpropane-2-sulfinate)
SMILESCC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)[Si](C)(C)OCCN(CCO[Si](C)(C)C(C)(C)C)c1ccc(NCC2CCC(N)CC2)cc1.NC1CCC(CNc2ccc(-c3csnn3)cc2)CC1.NC1CCC(CNc2ccc(-n3ncnn3)cc2)CC1.NC1CCC(CNc2ccc(Nc3ccccc3)cc2)CC1.NC1CCC(CNc2ccc3[nH]ccc3c2)CC1.NC1CCC(CNc2ccc3[nH]ncc3c2)CC1
InChIInChI=1S/C29H57N3O2Si2.C19H25N3.C15H20N4S.C15H21N3.C14H20N6.C14H20N4.6C4H10O2S/c1-28(2,3)35(7,8)33-21-19-32(20-22-34-36(9,10)29(4,5)6)27-17-15-26(16-18-27)31-23-24-11-13-25(30)14-12-24;20-16-8-6-15(7-9-16)14-21-17-10-12-19(13-11-17)22-18-4-2-1-3-5-18;16-13-5-1-11(2-6-13)9-17-14-7-3-12(4-8-14)15-10-20-19-18-15;16-13-3-1-11(2-4-13)10-18-14-5-6-15-12(9-14)7-8-17-15;15-12-3-1-11(2-4-12)9-16-13-5-7-14(8-6-13)20-18-10-17-19-20;15-12-3-1-10(2-4-12)8-16-13-5-6-14-11(7-13)9-17-18-14;6*1-4(2,3)7(5)6/h15-18,24-25,31H,11-14,19-23,30H2,1-10H3;1-5,10-13,15-16,21-22H,6-9,14,20H2;3-4,7-8,10-11,13,17H,1-2,5-6,9,16H2;5-9,11,13,17-18H,1-4,10,16H2;5-8,10-12,16H,1-4,9,15H2;5-7,9-10,12,16H,1-4,8,15H2,(H,17,18);6*1-3H3,(H,5,6)/p-6
InChIKeyUGNQZBXEVAOXFI-UHFFFAOYSA-H
XLogP26.13
TPSA616.66 Ų
H-Bond Donors15
H-Bond Acceptors36
Rotatable Bonds31
Heavy Atoms176
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002606.95
LogP ≤ 526.13
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_NH_alk_B(3)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

Analyze 1-N-[(4-aminocyclohexyl)methyl]-4-N,4-N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]benzene-1,4-diamine;N-[(4-aminocyclohexyl)methyl]-1H-indazol-5-amine;N-[(4-aminocyclohexyl)methyl]-1H-indol-5-amine;1-N-[(4-aminocyclohexyl)methyl]-4-N-phenylbenzene-1,4-diamine;N-[(4-aminocyclohexyl)methyl]-4-(tetrazol-2-yl)aniline;N-[(4-aminocyclohexyl)methyl]-4-(thiadiazol-4-yl)aniline;hexakis(2-methylpropane-2-sulfinate) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-N-[(4-aminocyclohexyl)methyl]-4-N,4-N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]benzene-1,4-diamine;N-[(4-aminocyclohexyl)methyl]-1H-indazol-5-amine;N-[(4-aminocyclohexyl)methyl]-1H-indol-5-amine;1-N-[(4-aminocyclohexyl)methyl]-4-N-phenylbenzene-1,4-diamine;N-[(4-aminocyclohexyl)methyl]-4-(tetrazol-2-yl)aniline;N-[(4-aminocyclohexyl)methyl]-4-(thiadiazol-4-yl)aniline;hexakis(2-methylpropane-2-sulfinate)?
The IUPAC name of 1-N-[(4-aminocyclohexyl)methyl]-4-N,4-N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]benzene-1,4-diamine;N-[(4-aminocyclohexyl)methyl]-1H-indazol-5-amine;N-[(4-aminocyclohexyl)methyl]-1H-indol-5-amine;1-N-[(4-aminocyclohexyl)methyl]-4-N-phenylbenzene-1,4-diamine;N-[(4-aminocyclohexyl)methyl]-4-(tetrazol-2-yl)aniline;N-[(4-aminocyclohexyl)methyl]-4-(thiadiazol-4-yl)aniline;hexakis(2-methylpropane-2-sulfinate) (CID 159601467) is 1-N-[(4-aminocyclohexyl)methyl]-4-N,4-N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]benzene-1,4-diamine;N-[(4-aminocyclohexyl)methyl]-1H-indazol-5-amine;N-[(4-aminocyclohexyl)methyl]-1H-indol-5-amine;1-N-[(4-aminocyclohexyl)methyl]-4-N-phenylbenzene-1,4-diamine;N-[(4-aminocyclohexyl)methyl]-4-(tetrazol-2-yl)aniline;N-[(4-aminocyclohexyl)methyl]-4-(thiadiazol-4-yl)aniline;hexakis(2-methylpropane-2-sulfinate).
What is the SMILES notation for 1-N-[(4-aminocyclohexyl)methyl]-4-N,4-N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]benzene-1,4-diamine;N-[(4-aminocyclohexyl)methyl]-1H-indazol-5-amine;N-[(4-aminocyclohexyl)methyl]-1H-indol-5-amine;1-N-[(4-aminocyclohexyl)methyl]-4-N-phenylbenzene-1,4-diamine;N-[(4-aminocyclohexyl)methyl]-4-(tetrazol-2-yl)aniline;N-[(4-aminocyclohexyl)methyl]-4-(thiadiazol-4-yl)aniline;hexakis(2-methylpropane-2-sulfinate)?
The canonical SMILES for 1-N-[(4-aminocyclohexyl)methyl]-4-N,4-N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]benzene-1,4-diamine;N-[(4-aminocyclohexyl)methyl]-1H-indazol-5-amine;N-[(4-aminocyclohexyl)methyl]-1H-indol-5-amine;1-N-[(4-aminocyclohexyl)methyl]-4-N-phenylbenzene-1,4-diamine;N-[(4-aminocyclohexyl)methyl]-4-(tetrazol-2-yl)aniline;N-[(4-aminocyclohexyl)methyl]-4-(thiadiazol-4-yl)aniline;hexakis(2-methylpropane-2-sulfinate) is CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)[Si](C)(C)OCCN(CCO[Si](C)(C)C(C)(C)C)c1ccc(NCC2CCC(N)CC2)cc1.NC1CCC(CNc2ccc(-c3csnn3)cc2)CC1.NC1CCC(CNc2ccc(-n3ncnn3)cc2)CC1.NC1CCC(CNc2ccc(Nc3ccccc3)cc2)CC1.NC1CCC(CNc2ccc3[nH]ccc3c2)CC1.NC1CCC(CNc2ccc3[nH]ncc3c2)CC1.
What is the InChIKey of 1-N-[(4-aminocyclohexyl)methyl]-4-N,4-N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]benzene-1,4-diamine;N-[(4-aminocyclohexyl)methyl]-1H-indazol-5-amine;N-[(4-aminocyclohexyl)methyl]-1H-indol-5-amine;1-N-[(4-aminocyclohexyl)methyl]-4-N-phenylbenzene-1,4-diamine;N-[(4-aminocyclohexyl)methyl]-4-(tetrazol-2-yl)aniline;N-[(4-aminocyclohexyl)methyl]-4-(thiadiazol-4-yl)aniline;hexakis(2-methylpropane-2-sulfinate)?
The InChIKey is UGNQZBXEVAOXFI-UHFFFAOYSA-H. The full InChI is InChI=1S/C29H57N3O2Si2.C19H25N3.C15H20N4S.C15H21N3.C14H20N6.C14H20N4.6C4H10O2S/c1-28(2,3)35(7,8)33-21-19-32(20-22-34-36(9,10)29(4,5)6)27-17-15-26(16-18-27)31-23-24-11-13-25(30)14-12-24;20-16-8-6-15(7-9-16)14-21-17-10-12-19(13-11-17)22-18-4-2-1-3-5-18;16-13-5-1-11(2-6-13)9-17-14-7-3-12(4-8-14)15-10-20-19-18-15;16-13-3-1-11(2-4-13)10-18-14-5-6-15-12(9-14)7-8-17-15;15-12-3-1-11(2-4-12)9-16-13-5-7-14(8-6-13)20-18-10-17-19-20;15-12-3-1-10(2-4-12)8-16-13-5-6-14-11(7-13)9-17-18-14;6*1-4(2,3)7(5)6/h15-18,24-25,31H,11-14,19-23,30H2,1-10H3;1-5,10-13,15-16,21-22H,6-9,14,20H2;3-4,7-8,10-11,13,17H,1-2,5-6,9,16H2;5-9,11,13,17-18H,1-4,10,16H2;5-8,10-12,16H,1-4,9,15H2;5-7,9-10,12,16H,1-4,8,15H2,(H,17,18);6*1-3H3,(H,5,6)/p-6.
What are the key properties of 1-N-[(4-aminocyclohexyl)methyl]-4-N,4-N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]benzene-1,4-diamine;N-[(4-aminocyclohexyl)methyl]-1H-indazol-5-amine;N-[(4-aminocyclohexyl)methyl]-1H-indol-5-amine;1-N-[(4-aminocyclohexyl)methyl]-4-N-phenylbenzene-1,4-diamine;N-[(4-aminocyclohexyl)methyl]-4-(tetrazol-2-yl)aniline;N-[(4-aminocyclohexyl)methyl]-4-(thiadiazol-4-yl)aniline;hexakis(2-methylpropane-2-sulfinate)?
1-N-[(4-aminocyclohexyl)methyl]-4-N,4-N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]benzene-1,4-diamine;N-[(4-aminocyclohexyl)methyl]-1H-indazol-5-amine;N-[(4-aminocyclohexyl)methyl]-1H-indol-5-amine;1-N-[(4-aminocyclohexyl)methyl]-4-N-phenylbenzene-1,4-diamine;N-[(4-aminocyclohexyl)methyl]-4-(tetrazol-2-yl)aniline;N-[(4-aminocyclohexyl)methyl]-4-(thiadiazol-4-yl)aniline;hexakis(2-methylpropane-2-sulfinate) has a molecular weight of 2606.95 g/mol, XLogP of 26.13, 31 rotatable bonds, 15 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(4-aminocyclohexyl)methyl]-4-N,4-N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]benzene-1,4-diamine;N-[(4-aminocyclohexyl)methyl]-1H-indazol-5-amine;N-[(4-aminocyclohexyl)methyl]-1H-indol-5-amine;1-N-[(4-aminocyclohexyl)methyl]-4-N-phenylbenzene-1,4-diamine;N-[(4-aminocyclohexyl)methyl]-4-(tetrazol-2-yl)aniline;N-[(4-aminocyclohexyl)methyl]-4-(thiadiazol-4-yl)aniline;hexakis(2-methylpropane-2-sulfinate) is sourced from PubChem (CID 159601467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).