1-(1,3-benzothiazol-2-yl)-N,N-bis(1,3-benzothiazol-2-ylmethyl)methanamine;N-benzyl-N',N'-bis[2-(benzylamino)ethyl]ethane-1,2-diamine;N-benzyl-N',N'-bis[2-[benzyl(methyl)amino]ethyl]-N-methylethane-1,2-diamine;1-(1-benzyltriazol-4-yl)-N,N-bis[(1-benzyltriazol-4-yl)methyl]methanamine;N',N'-bis(2-aminoethyl)ethane-1,2-diamine;N',N'-bis[2-(dimethylamino)ethyl]-N,N-dimethylethane-1,2-diamine;1-(2H-indazol-3-yl)-N-(2H-indazol-3-ylmethyl)-N-[(1-methylindazol-3-yl)methyl]methanamine;1-(1-methylbenzimidazol-2-yl)-N,N-bis[(1-methylbenzimidazol-2-yl)methyl]methanamine;N-methyl-N',N'-bis[2-(methylamino)ethyl]ethane-1,2-diamine;2-[1-[2-[1-[2-(1-methylimidazol-2-yl)ethyl]imidazol-2-yl]ethyl]imidazol-2-yl]ethanamine;N-[(2-nitrophenyl)methyl]-N',N'-bis[2-[(2-nitrophenyl)methylamino]ethyl]ethane-1,2-diamine

C233H304N62O6S3 — CID 159604114

IUPAC1-(1,3-benzothiazol-2-yl)-N,N-bis(1,3-benzothiazol-2-ylmethyl)methanamine;N-benzyl-N',N'-bis[2-(benzylamino)ethyl]ethane-1,2-diamine;N-benzyl-N',N'-bis[2-[benzyl(methyl)amino]ethyl]-N-methylethane-1,2-diamine;1-(1-benzyltriazol-4-yl)-N,N-bis[(1-benzyltriazol-4-yl)methyl]methanamine;N',N'-bis(2-aminoethyl)ethane-1,2-diamine;N',N'-bis[2-(dimethylamino)ethyl]-N,N-dimethylethane-1,2-diamine;1-(2H-indazol-3-yl)-N-(2H-indazol-3-ylmethyl)-N-[(1-methylindazol-3-yl)methyl]methanamine;1-(1-methylbenzimidazol-2-yl)-N,N-bis[(1-methylbenzimidazol-2-yl)methyl]methanamine;N-methyl-N',N'-bis[2-(methylamino)ethyl]ethane-1,2-diamine;2-[1-[2-[1-[2-(1-methylimidazol-2-yl)ethyl]imidazol-2-yl]ethyl]imidazol-2-yl]ethanamine;N-[(2-nitrophenyl)methyl]-N',N'-bis[2-[(2-nitrophenyl)methylamino]ethyl]ethane-1,2-diamine
SMILESCN(C)CCN(CCN(C)C)CCN(C)C.CN(CCN(CCN(C)Cc1ccccc1)CCN(C)Cc1ccccc1)Cc1ccccc1.CNCCN(CCNC)CCNC.Cn1c(CN(Cc2nc3ccccc3n2C)Cc2nc3ccccc3n2C)nc2ccccc21.Cn1ccnc1CCn1ccnc1CCn1ccnc1CCN.Cn1nc(CN(Cc2[nH]nc3ccccc23)Cc2[nH]nc3ccccc23)c2ccccc21.NCCN(CCN)CCN.O=[N+]([O-])c1ccccc1CNCCN(CCNCc1ccccc1[N+](=O)[O-])CCNCc1ccccc1[N+](=O)[O-].c1ccc(CNCCN(CCNCc2ccccc2)CCNCc2ccccc2)cc1.c1ccc(Cn2cc(CN(Cc3cn(Cc4ccccc4)nn3)Cc3cn(Cc4ccccc4)nn3)nn2)cc1.c1ccc2sc(CN(Cc3nc4ccccc4s3)Cc3nc4ccccc4s3)nc2c1
InChIInChI=1S/C30H30N10.C30H42N4.C27H33N7O6.C27H27N7.C27H36N4.C25H23N7.C24H18N4S3.C16H23N7.C12H30N4.C9H24N4.C6H18N4/c1-4-10-25(11-5-1)16-38-22-28(31-34-38)19-37(20-29-23-39(35-32-29)17-26-12-6-2-7-13-26)21-30-24-40(36-33-30)18-27-14-8-3-9-15-27;1-31(25-28-13-7-4-8-14-28)19-22-34(23-20-32(2)26-29-15-9-5-10-16-29)24-21-33(3)27-30-17-11-6-12-18-30;35-32(36)25-10-4-1-7-22(25)19-28-13-16-31(17-14-29-20-23-8-2-5-11-26(23)33(37)38)18-15-30-21-24-9-3-6-12-27(24)34(39)40;1-31-22-13-7-4-10-19(22)28-25(31)16-34(17-26-29-20-11-5-8-14-23(20)32(26)2)18-27-30-21-12-6-9-15-24(21)33(27)3;1-4-10-25(11-5-1)22-28-16-19-31(20-17-29-23-26-12-6-2-7-13-26)21-18-30-24-27-14-8-3-9-15-27;1-31-25-13-7-4-10-19(25)24(30-31)16-32(14-22-17-8-2-5-11-20(17)26-28-22)15-23-18-9-3-6-12-21(18)27-29-23;1-4-10-19-16(7-1)25-22(29-19)13-28(14-23-26-17-8-2-5-11-20(17)30-23)15-24-27-18-9-3-6-12-21(18)31-24;1-21-11-6-18-14(21)3-9-23-13-8-20-16(23)4-10-22-12-7-19-15(22)2-5-17;1-13(2)7-10-16(11-8-14(3)4)12-9-15(5)6;1-10-4-7-13(8-5-11-2)9-6-12-3;7-1-4-10(5-2-8)6-3-9/h1-15,22-24H,16-21H2;4-18H,19-27H2,1-3H3;1-12,28-30H,13-21H2;4-15H,16-18H2,1-3H3;1-15,28-30H,16-24H2;2-13H,14-16H2,1H3,(H,26,28)(H,27,29);1-12H,13-15H2;6-8,11-13H,2-5,9-10,17H2,1H3;7-12H2,1-6H3;10-12H,4-9H2,1-3H3;1-9H2
InChIKeyMLVXQDSFTWZICU-UHFFFAOYSA-N
MW4165.62 g/mol
LogP29.21
Rot. Bonds110

About 1-(1,3-benzothiazol-2-yl)-N,N-bis(1,3-benzothiazol-2-ylmethyl)methanamine;N-benzyl-N',N'-bis[2-(benzylamino)ethyl]ethane-1,2-diamine;N-benzyl-N',N'-bis[2-[benzyl(methyl)amino]ethyl]-N-methylethane-1,2-diamine;1-(1-benzyltriazol-4-yl)-N,N-bis[(1-benzyltriazol-4-yl)methyl]methanamine;N',N'-bis(2-aminoethyl)ethane-1,2-diamine;N',N'-bis[2-(dimethylamino)ethyl]-N,N-dimethylethane-1,2-diamine;1-(2H-indazol-3-yl)-N-(2H-indazol-3-ylmethyl)-N-[(1-methylindazol-3-yl)methyl]methanamine;1-(1-methylbenzimidazol-2-yl)-N,N-bis[(1-methylbenzimidazol-2-yl)methyl]methanamine;N-methyl-N',N'-bis[2-(methylamino)ethyl]ethane-1,2-diamine;2-[1-[2-[1-[2-(1-methylimidazol-2-yl)ethyl]imidazol-2-yl]ethyl]imidazol-2-yl]ethanamine;N-[(2-nitrophenyl)methyl]-N',N'-bis[2-[(2-nitrophenyl)methylamino]ethyl]ethane-1,2-diamine

1-(1,3-benzothiazol-2-yl)-N,N-bis(1,3-benzothiazol-2-ylmethyl)methanamine;N-benzyl-N',N'-bis[2-(benzylamino)ethyl]ethane-1,2-diamine;N-benzyl-N',N'-bis[2-[benzyl(methyl)amino]ethyl]-N-methylethane-1,2-diamine;1-(1-benzyltriazol-4-yl)-N,N-bis[(1-benzyltriazol-4-yl)methyl]methanamine;N',N'-bis(2-aminoethyl)ethane-1,2-diamine;N',N'-bis[2-(dimethylamino)ethyl]-N,N-dimethylethane-1,2-diamine;1-(2H-indazol-3-yl)-N-(2H-indazol-3-ylmethyl)-N-[(1-methylindazol-3-yl)methyl]methanamine;1-(1-methylbenzimidazol-2-yl)-N,N-bis[(1-methylbenzimidazol-2-yl)methyl]methanamine;N-methyl-N',N'-bis[2-(methylamino)ethyl]ethane-1,2-diamine;2-[1-[2-[1-[2-(1-methylimidazol-2-yl)ethyl]imidazol-2-yl]ethyl]imidazol-2-yl]ethanamine;N-[(2-nitrophenyl)methyl]-N',N'-bis[2-[(2-nitrophenyl)methylamino]ethyl]ethane-1,2-diamine (PubChem CID 159604114) has the molecular formula C233H304N62O6S3 and a molecular weight of 4165.62 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-yl)-N,N-bis(1,3-benzothiazol-2-ylmethyl)methanamine;N-benzyl-N',N'-bis[2-(benzylamino)ethyl]ethane-1,2-diamine;N-benzyl-N',N'-bis[2-[benzyl(methyl)amino]ethyl]-N-methylethane-1,2-diamine;1-(1-benzyltriazol-4-yl)-N,N-bis[(1-benzyltriazol-4-yl)methyl]methanamine;N',N'-bis(2-aminoethyl)ethane-1,2-diamine;N',N'-bis[2-(dimethylamino)ethyl]-N,N-dimethylethane-1,2-diamine;1-(2H-indazol-3-yl)-N-(2H-indazol-3-ylmethyl)-N-[(1-methylindazol-3-yl)methyl]methanamine;1-(1-methylbenzimidazol-2-yl)-N,N-bis[(1-methylbenzimidazol-2-yl)methyl]methanamine;N-methyl-N',N'-bis[2-(methylamino)ethyl]ethane-1,2-diamine;2-[1-[2-[1-[2-(1-methylimidazol-2-yl)ethyl]imidazol-2-yl]ethyl]imidazol-2-yl]ethanamine;N-[(2-nitrophenyl)methyl]-N',N'-bis[2-[(2-nitrophenyl)methylamino]ethyl]ethane-1,2-diamine.

Molecular Properties

Compound Name1-(1,3-benzothiazol-2-yl)-N,N-bis(1,3-benzothiazol-2-ylmethyl)methanamine;N-benzyl-N',N'-bis[2-(benzylamino)ethyl]ethane-1,2-diamine;N-benzyl-N',N'-bis[2-[benzyl(methyl)amino]ethyl]-N-methylethane-1,2-diamine;1-(1-benzyltriazol-4-yl)-N,N-bis[(1-benzyltriazol-4-yl)methyl]methanamine;N',N'-bis(2-aminoethyl)ethane-1,2-diamine;N',N'-bis[2-(dimethylamino)ethyl]-N,N-dimethylethane-1,2-diamine;1-(2H-indazol-3-yl)-N-(2H-indazol-3-ylmethyl)-N-[(1-methylindazol-3-yl)methyl]methanamine;1-(1-methylbenzimidazol-2-yl)-N,N-bis[(1-methylbenzimidazol-2-yl)methyl]methanamine;N-methyl-N',N'-bis[2-(methylamino)ethyl]ethane-1,2-diamine;2-[1-[2-[1-[2-(1-methylimidazol-2-yl)ethyl]imidazol-2-yl]ethyl]imidazol-2-yl]ethanamine;N-[(2-nitrophenyl)methyl]-N',N'-bis[2-[(2-nitrophenyl)methylamino]ethyl]ethane-1,2-diamine
PubChem CID159604114
Molecular FormulaC233H304N62O6S3
Molecular Weight4165.62 g/mol
Exact Mass4162.46
IUPAC Name1-(1,3-benzothiazol-2-yl)-N,N-bis(1,3-benzothiazol-2-ylmethyl)methanamine;N-benzyl-N',N'-bis[2-(benzylamino)ethyl]ethane-1,2-diamine;N-benzyl-N',N'-bis[2-[benzyl(methyl)amino]ethyl]-N-methylethane-1,2-diamine;1-(1-benzyltriazol-4-yl)-N,N-bis[(1-benzyltriazol-4-yl)methyl]methanamine;N',N'-bis(2-aminoethyl)ethane-1,2-diamine;N',N'-bis[2-(dimethylamino)ethyl]-N,N-dimethylethane-1,2-diamine;1-(2H-indazol-3-yl)-N-(2H-indazol-3-ylmethyl)-N-[(1-methylindazol-3-yl)methyl]methanamine;1-(1-methylbenzimidazol-2-yl)-N,N-bis[(1-methylbenzimidazol-2-yl)methyl]methanamine;N-methyl-N',N'-bis[2-(methylamino)ethyl]ethane-1,2-diamine;2-[1-[2-[1-[2-(1-methylimidazol-2-yl)ethyl]imidazol-2-yl]ethyl]imidazol-2-yl]ethanamine;N-[(2-nitrophenyl)methyl]-N',N'-bis[2-[(2-nitrophenyl)methylamino]ethyl]ethane-1,2-diamine
SMILESCN(C)CCN(CCN(C)C)CCN(C)C.CN(CCN(CCN(C)Cc1ccccc1)CCN(C)Cc1ccccc1)Cc1ccccc1.CNCCN(CCNC)CCNC.Cn1c(CN(Cc2nc3ccccc3n2C)Cc2nc3ccccc3n2C)nc2ccccc21.Cn1ccnc1CCn1ccnc1CCn1ccnc1CCN.Cn1nc(CN(Cc2[nH]nc3ccccc23)Cc2[nH]nc3ccccc23)c2ccccc21.NCCN(CCN)CCN.O=[N+]([O-])c1ccccc1CNCCN(CCNCc1ccccc1[N+](=O)[O-])CCNCc1ccccc1[N+](=O)[O-].c1ccc(CNCCN(CCNCc2ccccc2)CCNCc2ccccc2)cc1.c1ccc(Cn2cc(CN(Cc3cn(Cc4ccccc4)nn3)Cc3cn(Cc4ccccc4)nn3)nn2)cc1.c1ccc2sc(CN(Cc3nc4ccccc4s3)Cc3nc4ccccc4s3)nc2c1
InChIInChI=1S/C30H30N10.C30H42N4.C27H33N7O6.C27H27N7.C27H36N4.C25H23N7.C24H18N4S3.C16H23N7.C12H30N4.C9H24N4.C6H18N4/c1-4-10-25(11-5-1)16-38-22-28(31-34-38)19-37(20-29-23-39(35-32-29)17-26-12-6-2-7-13-26)21-30-24-40(36-33-30)18-27-14-8-3-9-15-27;1-31(25-28-13-7-4-8-14-28)19-22-34(23-20-32(2)26-29-15-9-5-10-16-29)24-21-33(3)27-30-17-11-6-12-18-30;35-32(36)25-10-4-1-7-22(25)19-28-13-16-31(17-14-29-20-23-8-2-5-11-26(23)33(37)38)18-15-30-21-24-9-3-6-12-27(24)34(39)40;1-31-22-13-7-4-10-19(22)28-25(31)16-34(17-26-29-20-11-5-8-14-23(20)32(26)2)18-27-30-21-12-6-9-15-24(21)33(27)3;1-4-10-25(11-5-1)22-28-16-19-31(20-17-29-23-26-12-6-2-7-13-26)21-18-30-24-27-14-8-3-9-15-27;1-31-25-13-7-4-10-19(25)24(30-31)16-32(14-22-17-8-2-5-11-20(17)26-28-22)15-23-18-9-3-6-12-21(18)27-29-23;1-4-10-19-16(7-1)25-22(29-19)13-28(14-23-26-17-8-2-5-11-20(17)30-23)15-24-27-18-9-3-6-12-21(18)31-24;1-21-11-6-18-14(21)3-9-23-13-8-20-16(23)4-10-22-12-7-19-15(22)2-5-17;1-13(2)7-10-16(11-8-14(3)4)12-9-15(5)6;1-10-4-7-13(8-5-11-2)9-6-12-3;7-1-4-10(5-2-8)6-3-9/h1-15,22-24H,16-21H2;4-18H,19-27H2,1-3H3;1-12,28-30H,13-21H2;4-15H,16-18H2,1-3H3;1-15,28-30H,16-24H2;2-13H,14-16H2,1H3,(H,26,28)(H,27,29);1-12H,13-15H2;6-8,11-13H,2-5,9-10,17H2,1H3;7-12H2,1-6H3;10-12H,4-9H2,1-3H3;1-9H2
InChIKeyMLVXQDSFTWZICU-UHFFFAOYSA-N
XLogP29.21
TPSA706.51 Ų
H-Bond Donors15
H-Bond Acceptors66
Rotatable Bonds110
Heavy Atoms304
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004165.62
LogP ≤ 529.21
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1066

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(1,3-benzothiazol-2-yl)-N,N-bis(1,3-benzothiazol-2-ylmethyl)methanamine;N-benzyl-N',N'-bis[2-(benzylamino)ethyl]ethane-1,2-diamine;N-benzyl-N',N'-bis[2-[benzyl(methyl)amino]ethyl]-N-methylethane-1,2-diamine;1-(1-benzyltriazol-4-yl)-N,N-bis[(1-benzyltriazol-4-yl)methyl]methanamine;N',N'-bis(2-aminoethyl)ethane-1,2-diamine;N',N'-bis[2-(dimethylamino)ethyl]-N,N-dimethylethane-1,2-diamine;1-(2H-indazol-3-yl)-N-(2H-indazol-3-ylmethyl)-N-[(1-methylindazol-3-yl)methyl]methanamine;1-(1-methylbenzimidazol-2-yl)-N,N-bis[(1-methylbenzimidazol-2-yl)methyl]methanamine;N-methyl-N',N'-bis[2-(methylamino)ethyl]ethane-1,2-diamine;2-[1-[2-[1-[2-(1-methylimidazol-2-yl)ethyl]imidazol-2-yl]ethyl]imidazol-2-yl]ethanamine;N-[(2-nitrophenyl)methyl]-N',N'-bis[2-[(2-nitrophenyl)methylamino]ethyl]ethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-2-yl)-N,N-bis(1,3-benzothiazol-2-ylmethyl)methanamine;N-benzyl-N',N'-bis[2-(benzylamino)ethyl]ethane-1,2-diamine;N-benzyl-N',N'-bis[2-[benzyl(methyl)amino]ethyl]-N-methylethane-1,2-diamine;1-(1-benzyltriazol-4-yl)-N,N-bis[(1-benzyltriazol-4-yl)methyl]methanamine;N',N'-bis(2-aminoethyl)ethane-1,2-diamine;N',N'-bis[2-(dimethylamino)ethyl]-N,N-dimethylethane-1,2-diamine;1-(2H-indazol-3-yl)-N-(2H-indazol-3-ylmethyl)-N-[(1-methylindazol-3-yl)methyl]methanamine;1-(1-methylbenzimidazol-2-yl)-N,N-bis[(1-methylbenzimidazol-2-yl)methyl]methanamine;N-methyl-N',N'-bis[2-(methylamino)ethyl]ethane-1,2-diamine;2-[1-[2-[1-[2-(1-methylimidazol-2-yl)ethyl]imidazol-2-yl]ethyl]imidazol-2-yl]ethanamine;N-[(2-nitrophenyl)methyl]-N',N'-bis[2-[(2-nitrophenyl)methylamino]ethyl]ethane-1,2-diamine?
The IUPAC name of 1-(1,3-benzothiazol-2-yl)-N,N-bis(1,3-benzothiazol-2-ylmethyl)methanamine;N-benzyl-N',N'-bis[2-(benzylamino)ethyl]ethane-1,2-diamine;N-benzyl-N',N'-bis[2-[benzyl(methyl)amino]ethyl]-N-methylethane-1,2-diamine;1-(1-benzyltriazol-4-yl)-N,N-bis[(1-benzyltriazol-4-yl)methyl]methanamine;N',N'-bis(2-aminoethyl)ethane-1,2-diamine;N',N'-bis[2-(dimethylamino)ethyl]-N,N-dimethylethane-1,2-diamine;1-(2H-indazol-3-yl)-N-(2H-indazol-3-ylmethyl)-N-[(1-methylindazol-3-yl)methyl]methanamine;1-(1-methylbenzimidazol-2-yl)-N,N-bis[(1-methylbenzimidazol-2-yl)methyl]methanamine;N-methyl-N',N'-bis[2-(methylamino)ethyl]ethane-1,2-diamine;2-[1-[2-[1-[2-(1-methylimidazol-2-yl)ethyl]imidazol-2-yl]ethyl]imidazol-2-yl]ethanamine;N-[(2-nitrophenyl)methyl]-N',N'-bis[2-[(2-nitrophenyl)methylamino]ethyl]ethane-1,2-diamine (CID 159604114) is 1-(1,3-benzothiazol-2-yl)-N,N-bis(1,3-benzothiazol-2-ylmethyl)methanamine;N-benzyl-N',N'-bis[2-(benzylamino)ethyl]ethane-1,2-diamine;N-benzyl-N',N'-bis[2-[benzyl(methyl)amino]ethyl]-N-methylethane-1,2-diamine;1-(1-benzyltriazol-4-yl)-N,N-bis[(1-benzyltriazol-4-yl)methyl]methanamine;N',N'-bis(2-aminoethyl)ethane-1,2-diamine;N',N'-bis[2-(dimethylamino)ethyl]-N,N-dimethylethane-1,2-diamine;1-(2H-indazol-3-yl)-N-(2H-indazol-3-ylmethyl)-N-[(1-methylindazol-3-yl)methyl]methanamine;1-(1-methylbenzimidazol-2-yl)-N,N-bis[(1-methylbenzimidazol-2-yl)methyl]methanamine;N-methyl-N',N'-bis[2-(methylamino)ethyl]ethane-1,2-diamine;2-[1-[2-[1-[2-(1-methylimidazol-2-yl)ethyl]imidazol-2-yl]ethyl]imidazol-2-yl]ethanamine;N-[(2-nitrophenyl)methyl]-N',N'-bis[2-[(2-nitrophenyl)methylamino]ethyl]ethane-1,2-diamine.
What is the SMILES notation for 1-(1,3-benzothiazol-2-yl)-N,N-bis(1,3-benzothiazol-2-ylmethyl)methanamine;N-benzyl-N',N'-bis[2-(benzylamino)ethyl]ethane-1,2-diamine;N-benzyl-N',N'-bis[2-[benzyl(methyl)amino]ethyl]-N-methylethane-1,2-diamine;1-(1-benzyltriazol-4-yl)-N,N-bis[(1-benzyltriazol-4-yl)methyl]methanamine;N',N'-bis(2-aminoethyl)ethane-1,2-diamine;N',N'-bis[2-(dimethylamino)ethyl]-N,N-dimethylethane-1,2-diamine;1-(2H-indazol-3-yl)-N-(2H-indazol-3-ylmethyl)-N-[(1-methylindazol-3-yl)methyl]methanamine;1-(1-methylbenzimidazol-2-yl)-N,N-bis[(1-methylbenzimidazol-2-yl)methyl]methanamine;N-methyl-N',N'-bis[2-(methylamino)ethyl]ethane-1,2-diamine;2-[1-[2-[1-[2-(1-methylimidazol-2-yl)ethyl]imidazol-2-yl]ethyl]imidazol-2-yl]ethanamine;N-[(2-nitrophenyl)methyl]-N',N'-bis[2-[(2-nitrophenyl)methylamino]ethyl]ethane-1,2-diamine?
The canonical SMILES for 1-(1,3-benzothiazol-2-yl)-N,N-bis(1,3-benzothiazol-2-ylmethyl)methanamine;N-benzyl-N',N'-bis[2-(benzylamino)ethyl]ethane-1,2-diamine;N-benzyl-N',N'-bis[2-[benzyl(methyl)amino]ethyl]-N-methylethane-1,2-diamine;1-(1-benzyltriazol-4-yl)-N,N-bis[(1-benzyltriazol-4-yl)methyl]methanamine;N',N'-bis(2-aminoethyl)ethane-1,2-diamine;N',N'-bis[2-(dimethylamino)ethyl]-N,N-dimethylethane-1,2-diamine;1-(2H-indazol-3-yl)-N-(2H-indazol-3-ylmethyl)-N-[(1-methylindazol-3-yl)methyl]methanamine;1-(1-methylbenzimidazol-2-yl)-N,N-bis[(1-methylbenzimidazol-2-yl)methyl]methanamine;N-methyl-N',N'-bis[2-(methylamino)ethyl]ethane-1,2-diamine;2-[1-[2-[1-[2-(1-methylimidazol-2-yl)ethyl]imidazol-2-yl]ethyl]imidazol-2-yl]ethanamine;N-[(2-nitrophenyl)methyl]-N',N'-bis[2-[(2-nitrophenyl)methylamino]ethyl]ethane-1,2-diamine is CN(C)CCN(CCN(C)C)CCN(C)C.CN(CCN(CCN(C)Cc1ccccc1)CCN(C)Cc1ccccc1)Cc1ccccc1.CNCCN(CCNC)CCNC.Cn1c(CN(Cc2nc3ccccc3n2C)Cc2nc3ccccc3n2C)nc2ccccc21.Cn1ccnc1CCn1ccnc1CCn1ccnc1CCN.Cn1nc(CN(Cc2[nH]nc3ccccc23)Cc2[nH]nc3ccccc23)c2ccccc21.NCCN(CCN)CCN.O=[N+]([O-])c1ccccc1CNCCN(CCNCc1ccccc1[N+](=O)[O-])CCNCc1ccccc1[N+](=O)[O-].c1ccc(CNCCN(CCNCc2ccccc2)CCNCc2ccccc2)cc1.c1ccc(Cn2cc(CN(Cc3cn(Cc4ccccc4)nn3)Cc3cn(Cc4ccccc4)nn3)nn2)cc1.c1ccc2sc(CN(Cc3nc4ccccc4s3)Cc3nc4ccccc4s3)nc2c1.
What is the InChIKey of 1-(1,3-benzothiazol-2-yl)-N,N-bis(1,3-benzothiazol-2-ylmethyl)methanamine;N-benzyl-N',N'-bis[2-(benzylamino)ethyl]ethane-1,2-diamine;N-benzyl-N',N'-bis[2-[benzyl(methyl)amino]ethyl]-N-methylethane-1,2-diamine;1-(1-benzyltriazol-4-yl)-N,N-bis[(1-benzyltriazol-4-yl)methyl]methanamine;N',N'-bis(2-aminoethyl)ethane-1,2-diamine;N',N'-bis[2-(dimethylamino)ethyl]-N,N-dimethylethane-1,2-diamine;1-(2H-indazol-3-yl)-N-(2H-indazol-3-ylmethyl)-N-[(1-methylindazol-3-yl)methyl]methanamine;1-(1-methylbenzimidazol-2-yl)-N,N-bis[(1-methylbenzimidazol-2-yl)methyl]methanamine;N-methyl-N',N'-bis[2-(methylamino)ethyl]ethane-1,2-diamine;2-[1-[2-[1-[2-(1-methylimidazol-2-yl)ethyl]imidazol-2-yl]ethyl]imidazol-2-yl]ethanamine;N-[(2-nitrophenyl)methyl]-N',N'-bis[2-[(2-nitrophenyl)methylamino]ethyl]ethane-1,2-diamine?
The InChIKey is MLVXQDSFTWZICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N10.C30H42N4.C27H33N7O6.C27H27N7.C27H36N4.C25H23N7.C24H18N4S3.C16H23N7.C12H30N4.C9H24N4.C6H18N4/c1-4-10-25(11-5-1)16-38-22-28(31-34-38)19-37(20-29-23-39(35-32-29)17-26-12-6-2-7-13-26)21-30-24-40(36-33-30)18-27-14-8-3-9-15-27;1-31(25-28-13-7-4-8-14-28)19-22-34(23-20-32(2)26-29-15-9-5-10-16-29)24-21-33(3)27-30-17-11-6-12-18-30;35-32(36)25-10-4-1-7-22(25)19-28-13-16-31(17-14-29-20-23-8-2-5-11-26(23)33(37)38)18-15-30-21-24-9-3-6-12-27(24)34(39)40;1-31-22-13-7-4-10-19(22)28-25(31)16-34(17-26-29-20-11-5-8-14-23(20)32(26)2)18-27-30-21-12-6-9-15-24(21)33(27)3;1-4-10-25(11-5-1)22-28-16-19-31(20-17-29-23-26-12-6-2-7-13-26)21-18-30-24-27-14-8-3-9-15-27;1-31-25-13-7-4-10-19(25)24(30-31)16-32(14-22-17-8-2-5-11-20(17)26-28-22)15-23-18-9-3-6-12-21(18)27-29-23;1-4-10-19-16(7-1)25-22(29-19)13-28(14-23-26-17-8-2-5-11-20(17)30-23)15-24-27-18-9-3-6-12-21(18)31-24;1-21-11-6-18-14(21)3-9-23-13-8-20-16(23)4-10-22-12-7-19-15(22)2-5-17;1-13(2)7-10-16(11-8-14(3)4)12-9-15(5)6;1-10-4-7-13(8-5-11-2)9-6-12-3;7-1-4-10(5-2-8)6-3-9/h1-15,22-24H,16-21H2;4-18H,19-27H2,1-3H3;1-12,28-30H,13-21H2;4-15H,16-18H2,1-3H3;1-15,28-30H,16-24H2;2-13H,14-16H2,1H3,(H,26,28)(H,27,29);1-12H,13-15H2;6-8,11-13H,2-5,9-10,17H2,1H3;7-12H2,1-6H3;10-12H,4-9H2,1-3H3;1-9H2.
What are the key properties of 1-(1,3-benzothiazol-2-yl)-N,N-bis(1,3-benzothiazol-2-ylmethyl)methanamine;N-benzyl-N',N'-bis[2-(benzylamino)ethyl]ethane-1,2-diamine;N-benzyl-N',N'-bis[2-[benzyl(methyl)amino]ethyl]-N-methylethane-1,2-diamine;1-(1-benzyltriazol-4-yl)-N,N-bis[(1-benzyltriazol-4-yl)methyl]methanamine;N',N'-bis(2-aminoethyl)ethane-1,2-diamine;N',N'-bis[2-(dimethylamino)ethyl]-N,N-dimethylethane-1,2-diamine;1-(2H-indazol-3-yl)-N-(2H-indazol-3-ylmethyl)-N-[(1-methylindazol-3-yl)methyl]methanamine;1-(1-methylbenzimidazol-2-yl)-N,N-bis[(1-methylbenzimidazol-2-yl)methyl]methanamine;N-methyl-N',N'-bis[2-(methylamino)ethyl]ethane-1,2-diamine;2-[1-[2-[1-[2-(1-methylimidazol-2-yl)ethyl]imidazol-2-yl]ethyl]imidazol-2-yl]ethanamine;N-[(2-nitrophenyl)methyl]-N',N'-bis[2-[(2-nitrophenyl)methylamino]ethyl]ethane-1,2-diamine?
1-(1,3-benzothiazol-2-yl)-N,N-bis(1,3-benzothiazol-2-ylmethyl)methanamine;N-benzyl-N',N'-bis[2-(benzylamino)ethyl]ethane-1,2-diamine;N-benzyl-N',N'-bis[2-[benzyl(methyl)amino]ethyl]-N-methylethane-1,2-diamine;1-(1-benzyltriazol-4-yl)-N,N-bis[(1-benzyltriazol-4-yl)methyl]methanamine;N',N'-bis(2-aminoethyl)ethane-1,2-diamine;N',N'-bis[2-(dimethylamino)ethyl]-N,N-dimethylethane-1,2-diamine;1-(2H-indazol-3-yl)-N-(2H-indazol-3-ylmethyl)-N-[(1-methylindazol-3-yl)methyl]methanamine;1-(1-methylbenzimidazol-2-yl)-N,N-bis[(1-methylbenzimidazol-2-yl)methyl]methanamine;N-methyl-N',N'-bis[2-(methylamino)ethyl]ethane-1,2-diamine;2-[1-[2-[1-[2-(1-methylimidazol-2-yl)ethyl]imidazol-2-yl]ethyl]imidazol-2-yl]ethanamine;N-[(2-nitrophenyl)methyl]-N',N'-bis[2-[(2-nitrophenyl)methylamino]ethyl]ethane-1,2-diamine has a molecular weight of 4165.62 g/mol, XLogP of 29.21, 110 rotatable bonds, 15 hydrogen bond donors, and 66 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-2-yl)-N,N-bis(1,3-benzothiazol-2-ylmethyl)methanamine;N-benzyl-N',N'-bis[2-(benzylamino)ethyl]ethane-1,2-diamine;N-benzyl-N',N'-bis[2-[benzyl(methyl)amino]ethyl]-N-methylethane-1,2-diamine;1-(1-benzyltriazol-4-yl)-N,N-bis[(1-benzyltriazol-4-yl)methyl]methanamine;N',N'-bis(2-aminoethyl)ethane-1,2-diamine;N',N'-bis[2-(dimethylamino)ethyl]-N,N-dimethylethane-1,2-diamine;1-(2H-indazol-3-yl)-N-(2H-indazol-3-ylmethyl)-N-[(1-methylindazol-3-yl)methyl]methanamine;1-(1-methylbenzimidazol-2-yl)-N,N-bis[(1-methylbenzimidazol-2-yl)methyl]methanamine;N-methyl-N',N'-bis[2-(methylamino)ethyl]ethane-1,2-diamine;2-[1-[2-[1-[2-(1-methylimidazol-2-yl)ethyl]imidazol-2-yl]ethyl]imidazol-2-yl]ethanamine;N-[(2-nitrophenyl)methyl]-N',N'-bis[2-[(2-nitrophenyl)methylamino]ethyl]ethane-1,2-diamine is sourced from PubChem (CID 159604114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).