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;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;N-[4-[(1H-indol-5-ylamino)methyl]cyclohexyl]propane-2-sulfonamide;pentakis(propane-2-sulfinate)

C124H204N23O14S7Si2-5 — CID 161163544

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;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;N-[4-[(1H-indol-5-ylamino)methyl]cyclohexyl]propane-2-sulfonamide;pentakis(propane-2-sulfinate)
SMILESCC(C)(C)[Si](C)(C)OCCN(CCO[Si](C)(C)C(C)(C)C)c1ccc(NCC2CCC(N)CC2)cc1.CC(C)S(=O)(=O)NC1CCC(CNc2ccc3[nH]ccc3c2)CC1.CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].NC1CCC(CNc2ccc(-c3csnn3)cc2)CC1.NC1CCC(CNc2ccc(-n3ncnn3)cc2)CC1.NC1CCC(CNc2ccc(Nc3ccccc3)cc2)CC1.NC1CCC(CNc2ccc3[nH]ncc3c2)CC1
InChIInChI=1S/C29H57N3O2Si2.C19H25N3.C18H27N3O2S.C15H20N4S.C14H20N6.C14H20N4.5C3H8O2S/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;1-13(2)24(22,23)21-16-5-3-14(4-6-16)12-20-17-7-8-18-15(11-17)9-10-19-18;16-13-5-1-11(2-6-13)9-17-14-7-3-12(4-8-14)15-10-20-19-18-15;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;5*1-3(2)6(4)5/h15-18,24-25,31H,11-14,19-23,30H2,1-10H3;1-5,10-13,15-16,21-22H,6-9,14,20H2;7-11,13-14,16,19-21H,3-6,12H2,1-2H3;3-4,7-8,10-11,13,17H,1-2,5-6,9,16H2;5-8,10-12,16H,1-4,9,15H2;5-7,9-10,12,16H,1-4,8,15H2,(H,17,18);5*3H,1-2H3,(H,4,5)/p-5
InChIKeyYESSXZOKABWXCV-UHFFFAOYSA-I
MW2521.78 g/mol
LogP23.88
Rot. Bonds39

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;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;N-[4-[(1H-indol-5-ylamino)methyl]cyclohexyl]propane-2-sulfonamide;pentakis(propane-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;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;N-[4-[(1H-indol-5-ylamino)methyl]cyclohexyl]propane-2-sulfonamide;pentakis(propane-2-sulfinate) (PubChem CID 161163544) has the molecular formula C124H204N23O14S7Si2-5 and a molecular weight of 2521.78 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;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;N-[4-[(1H-indol-5-ylamino)methyl]cyclohexyl]propane-2-sulfonamide;pentakis(propane-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;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;N-[4-[(1H-indol-5-ylamino)methyl]cyclohexyl]propane-2-sulfonamide;pentakis(propane-2-sulfinate)
PubChem CID161163544
Molecular FormulaC124H204N23O14S7Si2-5
Molecular Weight2521.78 g/mol
Exact Mass2519.36
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;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;N-[4-[(1H-indol-5-ylamino)methyl]cyclohexyl]propane-2-sulfonamide;pentakis(propane-2-sulfinate)
SMILESCC(C)(C)[Si](C)(C)OCCN(CCO[Si](C)(C)C(C)(C)C)c1ccc(NCC2CCC(N)CC2)cc1.CC(C)S(=O)(=O)NC1CCC(CNc2ccc3[nH]ccc3c2)CC1.CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].NC1CCC(CNc2ccc(-c3csnn3)cc2)CC1.NC1CCC(CNc2ccc(-n3ncnn3)cc2)CC1.NC1CCC(CNc2ccc(Nc3ccccc3)cc2)CC1.NC1CCC(CNc2ccc3[nH]ncc3c2)CC1
InChIInChI=1S/C29H57N3O2Si2.C19H25N3.C18H27N3O2S.C15H20N4S.C14H20N6.C14H20N4.5C3H8O2S/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;1-13(2)24(22,23)21-16-5-3-14(4-6-16)12-20-17-7-8-18-15(11-17)9-10-19-18;16-13-5-1-11(2-6-13)9-17-14-7-3-12(4-8-14)15-10-20-19-18-15;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;5*1-3(2)6(4)5/h15-18,24-25,31H,11-14,19-23,30H2,1-10H3;1-5,10-13,15-16,21-22H,6-9,14,20H2;7-11,13-14,16,19-21H,3-6,12H2,1-2H3;3-4,7-8,10-11,13,17H,1-2,5-6,9,16H2;5-8,10-12,16H,1-4,9,15H2;5-7,9-10,12,16H,1-4,8,15H2,(H,17,18);5*3H,1-2H3,(H,4,5)/p-5
InChIKeyYESSXZOKABWXCV-UHFFFAOYSA-I
XLogP23.88
TPSA596.68 Ų
H-Bond Donors15
H-Bond Acceptors35
Rotatable Bonds39
Heavy Atoms170
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002521.78
LogP ≤ 523.88
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1035

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;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;N-[4-[(1H-indol-5-ylamino)methyl]cyclohexyl]propane-2-sulfonamide;pentakis(propane-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;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;N-[4-[(1H-indol-5-ylamino)methyl]cyclohexyl]propane-2-sulfonamide;pentakis(propane-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;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;N-[4-[(1H-indol-5-ylamino)methyl]cyclohexyl]propane-2-sulfonamide;pentakis(propane-2-sulfinate) (CID 161163544) 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;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;N-[4-[(1H-indol-5-ylamino)methyl]cyclohexyl]propane-2-sulfonamide;pentakis(propane-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;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;N-[4-[(1H-indol-5-ylamino)methyl]cyclohexyl]propane-2-sulfonamide;pentakis(propane-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;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;N-[4-[(1H-indol-5-ylamino)methyl]cyclohexyl]propane-2-sulfonamide;pentakis(propane-2-sulfinate) is CC(C)(C)[Si](C)(C)OCCN(CCO[Si](C)(C)C(C)(C)C)c1ccc(NCC2CCC(N)CC2)cc1.CC(C)S(=O)(=O)NC1CCC(CNc2ccc3[nH]ccc3c2)CC1.CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].NC1CCC(CNc2ccc(-c3csnn3)cc2)CC1.NC1CCC(CNc2ccc(-n3ncnn3)cc2)CC1.NC1CCC(CNc2ccc(Nc3ccccc3)cc2)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;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;N-[4-[(1H-indol-5-ylamino)methyl]cyclohexyl]propane-2-sulfonamide;pentakis(propane-2-sulfinate)?
The InChIKey is YESSXZOKABWXCV-UHFFFAOYSA-I. The full InChI is InChI=1S/C29H57N3O2Si2.C19H25N3.C18H27N3O2S.C15H20N4S.C14H20N6.C14H20N4.5C3H8O2S/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;1-13(2)24(22,23)21-16-5-3-14(4-6-16)12-20-17-7-8-18-15(11-17)9-10-19-18;16-13-5-1-11(2-6-13)9-17-14-7-3-12(4-8-14)15-10-20-19-18-15;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;5*1-3(2)6(4)5/h15-18,24-25,31H,11-14,19-23,30H2,1-10H3;1-5,10-13,15-16,21-22H,6-9,14,20H2;7-11,13-14,16,19-21H,3-6,12H2,1-2H3;3-4,7-8,10-11,13,17H,1-2,5-6,9,16H2;5-8,10-12,16H,1-4,9,15H2;5-7,9-10,12,16H,1-4,8,15H2,(H,17,18);5*3H,1-2H3,(H,4,5)/p-5.
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;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;N-[4-[(1H-indol-5-ylamino)methyl]cyclohexyl]propane-2-sulfonamide;pentakis(propane-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;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;N-[4-[(1H-indol-5-ylamino)methyl]cyclohexyl]propane-2-sulfonamide;pentakis(propane-2-sulfinate) has a molecular weight of 2521.78 g/mol, XLogP of 23.88, 39 rotatable bonds, 15 hydrogen bond donors, and 35 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;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;N-[4-[(1H-indol-5-ylamino)methyl]cyclohexyl]propane-2-sulfonamide;pentakis(propane-2-sulfinate) is sourced from PubChem (CID 161163544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).