1,3-diisocyanato-2-methylbenzene;2,4-diisocyanato-1-methylbenzene;1-[3-(dimethylsilyloxy-methyl-trimethylsilyloxysilyl)propyl]-3-[2-methyl-5-[3-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea;1-(2-ethylhexyl)-3-[3-(2-ethylhexylcarbamoylamino)-2-methylphenyl]urea;1-(2-ethylhexyl)-3-[3-(2-ethylhexylcarbamoylamino)-4-methylphenyl]urea;1-(2-ethylhexyl)-3-[2-methyl-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea;1-(2-ethylhexyl)-3-[2-methyl-5-[3-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea;1-(2-ethylhexyl)-3-[4-methyl-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea;3-[methyl-bis(trimethylsilyloxy)silyl]propan-1-amine;1-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]-3-[2-methyl-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea;2-methylhexan-1-amine

C223H434N34O34Si24 — CID 162214129

IUPAC1,3-diisocyanato-2-methylbenzene;2,4-diisocyanato-1-methylbenzene;1-[3-(dimethylsilyloxy-methyl-trimethylsilyloxysilyl)propyl]-3-[2-methyl-5-[3-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea;1-(2-ethylhexyl)-3-[3-(2-ethylhexylcarbamoylamino)-2-methylphenyl]urea;1-(2-ethylhexyl)-3-[3-(2-ethylhexylcarbamoylamino)-4-methylphenyl]urea;1-(2-ethylhexyl)-3-[2-methyl-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea;1-(2-ethylhexyl)-3-[2-methyl-5-[3-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea;1-(2-ethylhexyl)-3-[4-methyl-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea;3-[methyl-bis(trimethylsilyloxy)silyl]propan-1-amine;1-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]-3-[2-methyl-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea;2-methylhexan-1-amine
SMILESCCCCC(C)CN.CCCCC(CC)CNC(=O)Nc1cc(NC(=O)NCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)ccc1C.CCCCC(CC)CNC(=O)Nc1ccc(C)c(NC(=O)NCC(CC)CCCC)c1.CCCCC(CC)CNC(=O)Nc1ccc(C)c(NC(=O)NCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)c1.CCCCC(CC)CNC(=O)Nc1cccc(NC(=O)NCC(CC)CCCC)c1C.CCCCC(CC)CNC(=O)Nc1cccc(NC(=O)NCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)c1C.C[Si](C)(C)O[Si](C)(CCCN)O[Si](C)(C)C.Cc1c(N=C=O)cccc1N=C=O.Cc1c(NC(=O)NCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)cccc1NC(=O)NCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C.Cc1ccc(N=C=O)cc1N=C=O.Cc1ccc(NC(=O)NCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)cc1NC(=O)NCCC[Si](C)(O[SiH](C)C)O[Si](C)(C)C
InChIInChI=1S/C29H64N4O6Si6.C28H62N4O6Si6.3C27H54N4O4Si3.2C25H44N4O2.C10H29NO2Si3.2C9H6N2O2.C7H17N/c1-25-26(32-28(34)30-21-17-23-44(14,36-40(2,3)4)37-41(5,6)7)19-16-20-27(25)33-29(35)31-22-18-24-45(15,38-42(8,9)10)39-43(11,12)13;1-24-17-18-25(31-27(33)29-20-16-22-44(14,37-41(7,8)9)38-42(10,11)12)23-26(24)32-28(34)30-19-15-21-43(13,35-39(2)3)36-40(4,5)6;1-11-13-16-23(12-2)21-29-27(33)31-25-18-14-17-24(22(25)3)30-26(32)28-19-15-20-38(10,34-36(4,5)6)35-37(7,8)9;1-11-13-15-23(12-2)21-29-27(33)30-24-17-16-22(3)25(20-24)31-26(32)28-18-14-19-38(10,34-36(4,5)6)35-37(7,8)9;1-11-13-15-23(12-2)21-29-27(33)31-25-20-24(17-16-22(25)3)30-26(32)28-18-14-19-38(10,34-36(4,5)6)35-37(7,8)9;1-6-10-13-20(8-3)17-26-24(30)28-22-15-12-16-23(19(22)5)29-25(31)27-18-21(9-4)14-11-7-2;1-6-10-12-20(8-3)17-26-24(30)28-22-15-14-19(5)23(16-22)29-25(31)27-18-21(9-4)13-11-7-2;1-14(2,3)12-16(7,10-8-9-11)13-15(4,5)6;1-7-2-3-8(10-5-12)4-9(7)11-6-13;1-7-8(10-5-12)3-2-4-9(7)11-6-13;1-3-4-5-7(2)6-8/h16,19-20H,17-18,21-24H2,1-15H3,(H2,30,32,34)(H2,31,33,35);17-18,23,39H,15-16,19-22H2,1-14H3,(H2,29,31,33)(H2,30,32,34);14,17-18,23H,11-13,15-16,19-21H2,1-10H3,(H2,28,30,32)(H2,29,31,33);16-17,20,23H,11-15,18-19,21H2,1-10H3,(H2,28,31,32)(H2,29,30,33);16-17,20,23H,11-15,18-19,21H2,1-10H3,(H2,28,30,32)(H2,29,31,33);12,15-16,20-21H,6-11,13-14,17-18H2,1-5H3,(H2,26,28,30)(H2,27,29,31);14-16,20-21H,6-13,17-18H2,1-5H3,(H2,26,28,30)(H2,27,29,31);8-11H2,1-7H3;2*2-4H,1H3;7H,3-6,8H2,1-2H3
InChIKeyZTFYTBLQRCUYFD-UHFFFAOYSA-N
MW4810.19 g/mol
LogP61.23
Rot. Bonds127

About 1,3-diisocyanato-2-methylbenzene;2,4-diisocyanato-1-methylbenzene;1-[3-(dimethylsilyloxy-methyl-trimethylsilyloxysilyl)propyl]-3-[2-methyl-5-[3-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea;1-(2-ethylhexyl)-3-[3-(2-ethylhexylcarbamoylamino)-2-methylphenyl]urea;1-(2-ethylhexyl)-3-[3-(2-ethylhexylcarbamoylamino)-4-methylphenyl]urea;1-(2-ethylhexyl)-3-[2-methyl-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea;1-(2-ethylhexyl)-3-[2-methyl-5-[3-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea;1-(2-ethylhexyl)-3-[4-methyl-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea;3-[methyl-bis(trimethylsilyloxy)silyl]propan-1-amine;1-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]-3-[2-methyl-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea;2-methylhexan-1-amine

1,3-diisocyanato-2-methylbenzene;2,4-diisocyanato-1-methylbenzene;1-[3-(dimethylsilyloxy-methyl-trimethylsilyloxysilyl)propyl]-3-[2-methyl-5-[3-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea;1-(2-ethylhexyl)-3-[3-(2-ethylhexylcarbamoylamino)-2-methylphenyl]urea;1-(2-ethylhexyl)-3-[3-(2-ethylhexylcarbamoylamino)-4-methylphenyl]urea;1-(2-ethylhexyl)-3-[2-methyl-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea;1-(2-ethylhexyl)-3-[2-methyl-5-[3-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea;1-(2-ethylhexyl)-3-[4-methyl-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea;3-[methyl-bis(trimethylsilyloxy)silyl]propan-1-amine;1-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]-3-[2-methyl-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea;2-methylhexan-1-amine (PubChem CID 162214129) has the molecular formula C223H434N34O34Si24 and a molecular weight of 4810.19 g/mol. Its IUPAC name is 1,3-diisocyanato-2-methylbenzene;2,4-diisocyanato-1-methylbenzene;1-[3-(dimethylsilyloxy-methyl-trimethylsilyloxysilyl)propyl]-3-[2-methyl-5-[3-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea;1-(2-ethylhexyl)-3-[3-(2-ethylhexylcarbamoylamino)-2-methylphenyl]urea;1-(2-ethylhexyl)-3-[3-(2-ethylhexylcarbamoylamino)-4-methylphenyl]urea;1-(2-ethylhexyl)-3-[2-methyl-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea;1-(2-ethylhexyl)-3-[2-methyl-5-[3-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea;1-(2-ethylhexyl)-3-[4-methyl-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea;3-[methyl-bis(trimethylsilyloxy)silyl]propan-1-amine;1-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]-3-[2-methyl-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea;2-methylhexan-1-amine.

Molecular Properties

Compound Name1,3-diisocyanato-2-methylbenzene;2,4-diisocyanato-1-methylbenzene;1-[3-(dimethylsilyloxy-methyl-trimethylsilyloxysilyl)propyl]-3-[2-methyl-5-[3-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea;1-(2-ethylhexyl)-3-[3-(2-ethylhexylcarbamoylamino)-2-methylphenyl]urea;1-(2-ethylhexyl)-3-[3-(2-ethylhexylcarbamoylamino)-4-methylphenyl]urea;1-(2-ethylhexyl)-3-[2-methyl-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea;1-(2-ethylhexyl)-3-[2-methyl-5-[3-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea;1-(2-ethylhexyl)-3-[4-methyl-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea;3-[methyl-bis(trimethylsilyloxy)silyl]propan-1-amine;1-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]-3-[2-methyl-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea;2-methylhexan-1-amine
PubChem CID162214129
Molecular FormulaC223H434N34O34Si24
Molecular Weight4810.19 g/mol
Exact Mass4804.77
IUPAC Name1,3-diisocyanato-2-methylbenzene;2,4-diisocyanato-1-methylbenzene;1-[3-(dimethylsilyloxy-methyl-trimethylsilyloxysilyl)propyl]-3-[2-methyl-5-[3-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea;1-(2-ethylhexyl)-3-[3-(2-ethylhexylcarbamoylamino)-2-methylphenyl]urea;1-(2-ethylhexyl)-3-[3-(2-ethylhexylcarbamoylamino)-4-methylphenyl]urea;1-(2-ethylhexyl)-3-[2-methyl-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea;1-(2-ethylhexyl)-3-[2-methyl-5-[3-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea;1-(2-ethylhexyl)-3-[4-methyl-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea;3-[methyl-bis(trimethylsilyloxy)silyl]propan-1-amine;1-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]-3-[2-methyl-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea;2-methylhexan-1-amine
SMILESCCCCC(C)CN.CCCCC(CC)CNC(=O)Nc1cc(NC(=O)NCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)ccc1C.CCCCC(CC)CNC(=O)Nc1ccc(C)c(NC(=O)NCC(CC)CCCC)c1.CCCCC(CC)CNC(=O)Nc1ccc(C)c(NC(=O)NCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)c1.CCCCC(CC)CNC(=O)Nc1cccc(NC(=O)NCC(CC)CCCC)c1C.CCCCC(CC)CNC(=O)Nc1cccc(NC(=O)NCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)c1C.C[Si](C)(C)O[Si](C)(CCCN)O[Si](C)(C)C.Cc1c(N=C=O)cccc1N=C=O.Cc1c(NC(=O)NCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)cccc1NC(=O)NCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C.Cc1ccc(N=C=O)cc1N=C=O.Cc1ccc(NC(=O)NCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)cc1NC(=O)NCCC[Si](C)(O[SiH](C)C)O[Si](C)(C)C
InChIInChI=1S/C29H64N4O6Si6.C28H62N4O6Si6.3C27H54N4O4Si3.2C25H44N4O2.C10H29NO2Si3.2C9H6N2O2.C7H17N/c1-25-26(32-28(34)30-21-17-23-44(14,36-40(2,3)4)37-41(5,6)7)19-16-20-27(25)33-29(35)31-22-18-24-45(15,38-42(8,9)10)39-43(11,12)13;1-24-17-18-25(31-27(33)29-20-16-22-44(14,37-41(7,8)9)38-42(10,11)12)23-26(24)32-28(34)30-19-15-21-43(13,35-39(2)3)36-40(4,5)6;1-11-13-16-23(12-2)21-29-27(33)31-25-18-14-17-24(22(25)3)30-26(32)28-19-15-20-38(10,34-36(4,5)6)35-37(7,8)9;1-11-13-15-23(12-2)21-29-27(33)30-24-17-16-22(3)25(20-24)31-26(32)28-18-14-19-38(10,34-36(4,5)6)35-37(7,8)9;1-11-13-15-23(12-2)21-29-27(33)31-25-20-24(17-16-22(25)3)30-26(32)28-18-14-19-38(10,34-36(4,5)6)35-37(7,8)9;1-6-10-13-20(8-3)17-26-24(30)28-22-15-12-16-23(19(22)5)29-25(31)27-18-21(9-4)14-11-7-2;1-6-10-12-20(8-3)17-26-24(30)28-22-15-14-19(5)23(16-22)29-25(31)27-18-21(9-4)13-11-7-2;1-14(2,3)12-16(7,10-8-9-11)13-15(4,5)6;1-7-2-3-8(10-5-12)4-9(7)11-6-13;1-7-8(10-5-12)3-2-4-9(7)11-6-13;1-3-4-5-7(2)6-8/h16,19-20H,17-18,21-24H2,1-15H3,(H2,30,32,34)(H2,31,33,35);17-18,23,39H,15-16,19-22H2,1-14H3,(H2,29,31,33)(H2,30,32,34);14,17-18,23H,11-13,15-16,19-21H2,1-10H3,(H2,28,30,32)(H2,29,31,33);16-17,20,23H,11-15,18-19,21H2,1-10H3,(H2,28,31,32)(H2,29,30,33);16-17,20,23H,11-15,18-19,21H2,1-10H3,(H2,28,30,32)(H2,29,31,33);12,15-16,20-21H,6-11,13-14,17-18H2,1-5H3,(H2,26,28,30)(H2,27,29,31);14-16,20-21H,6-13,17-18H2,1-5H3,(H2,26,28,30)(H2,27,29,31);8-11H2,1-7H3;2*2-4H,1H3;7H,3-6,8H2,1-2H3
InChIKeyZTFYTBLQRCUYFD-UHFFFAOYSA-N
XLogP61.23
TPSA893.26 Ų
H-Bond Donors30
H-Bond Acceptors40
Rotatable Bonds127
Heavy Atoms315
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004810.19
LogP ≤ 561.23
H-Bond Donors ≤ 530
H-Bond Acceptors ≤ 1040

Analyze 1,3-diisocyanato-2-methylbenzene;2,4-diisocyanato-1-methylbenzene;1-[3-(dimethylsilyloxy-methyl-trimethylsilyloxysilyl)propyl]-3-[2-methyl-5-[3-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea;1-(2-ethylhexyl)-3-[3-(2-ethylhexylcarbamoylamino)-2-methylphenyl]urea;1-(2-ethylhexyl)-3-[3-(2-ethylhexylcarbamoylamino)-4-methylphenyl]urea;1-(2-ethylhexyl)-3-[2-methyl-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea;1-(2-ethylhexyl)-3-[2-methyl-5-[3-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea;1-(2-ethylhexyl)-3-[4-methyl-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea;3-[methyl-bis(trimethylsilyloxy)silyl]propan-1-amine;1-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]-3-[2-methyl-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea;2-methylhexan-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,3-diisocyanato-2-methylbenzene;2,4-diisocyanato-1-methylbenzene;1-[3-(dimethylsilyloxy-methyl-trimethylsilyloxysilyl)propyl]-3-[2-methyl-5-[3-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea;1-(2-ethylhexyl)-3-[3-(2-ethylhexylcarbamoylamino)-2-methylphenyl]urea;1-(2-ethylhexyl)-3-[3-(2-ethylhexylcarbamoylamino)-4-methylphenyl]urea;1-(2-ethylhexyl)-3-[2-methyl-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea;1-(2-ethylhexyl)-3-[2-methyl-5-[3-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea;1-(2-ethylhexyl)-3-[4-methyl-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea;3-[methyl-bis(trimethylsilyloxy)silyl]propan-1-amine;1-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]-3-[2-methyl-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea;2-methylhexan-1-amine?
The IUPAC name of 1,3-diisocyanato-2-methylbenzene;2,4-diisocyanato-1-methylbenzene;1-[3-(dimethylsilyloxy-methyl-trimethylsilyloxysilyl)propyl]-3-[2-methyl-5-[3-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea;1-(2-ethylhexyl)-3-[3-(2-ethylhexylcarbamoylamino)-2-methylphenyl]urea;1-(2-ethylhexyl)-3-[3-(2-ethylhexylcarbamoylamino)-4-methylphenyl]urea;1-(2-ethylhexyl)-3-[2-methyl-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea;1-(2-ethylhexyl)-3-[2-methyl-5-[3-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea;1-(2-ethylhexyl)-3-[4-methyl-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea;3-[methyl-bis(trimethylsilyloxy)silyl]propan-1-amine;1-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]-3-[2-methyl-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea;2-methylhexan-1-amine (CID 162214129) is 1,3-diisocyanato-2-methylbenzene;2,4-diisocyanato-1-methylbenzene;1-[3-(dimethylsilyloxy-methyl-trimethylsilyloxysilyl)propyl]-3-[2-methyl-5-[3-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea;1-(2-ethylhexyl)-3-[3-(2-ethylhexylcarbamoylamino)-2-methylphenyl]urea;1-(2-ethylhexyl)-3-[3-(2-ethylhexylcarbamoylamino)-4-methylphenyl]urea;1-(2-ethylhexyl)-3-[2-methyl-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea;1-(2-ethylhexyl)-3-[2-methyl-5-[3-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea;1-(2-ethylhexyl)-3-[4-methyl-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea;3-[methyl-bis(trimethylsilyloxy)silyl]propan-1-amine;1-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]-3-[2-methyl-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea;2-methylhexan-1-amine.
What is the SMILES notation for 1,3-diisocyanato-2-methylbenzene;2,4-diisocyanato-1-methylbenzene;1-[3-(dimethylsilyloxy-methyl-trimethylsilyloxysilyl)propyl]-3-[2-methyl-5-[3-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea;1-(2-ethylhexyl)-3-[3-(2-ethylhexylcarbamoylamino)-2-methylphenyl]urea;1-(2-ethylhexyl)-3-[3-(2-ethylhexylcarbamoylamino)-4-methylphenyl]urea;1-(2-ethylhexyl)-3-[2-methyl-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea;1-(2-ethylhexyl)-3-[2-methyl-5-[3-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea;1-(2-ethylhexyl)-3-[4-methyl-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea;3-[methyl-bis(trimethylsilyloxy)silyl]propan-1-amine;1-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]-3-[2-methyl-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea;2-methylhexan-1-amine?
The canonical SMILES for 1,3-diisocyanato-2-methylbenzene;2,4-diisocyanato-1-methylbenzene;1-[3-(dimethylsilyloxy-methyl-trimethylsilyloxysilyl)propyl]-3-[2-methyl-5-[3-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea;1-(2-ethylhexyl)-3-[3-(2-ethylhexylcarbamoylamino)-2-methylphenyl]urea;1-(2-ethylhexyl)-3-[3-(2-ethylhexylcarbamoylamino)-4-methylphenyl]urea;1-(2-ethylhexyl)-3-[2-methyl-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea;1-(2-ethylhexyl)-3-[2-methyl-5-[3-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea;1-(2-ethylhexyl)-3-[4-methyl-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea;3-[methyl-bis(trimethylsilyloxy)silyl]propan-1-amine;1-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]-3-[2-methyl-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea;2-methylhexan-1-amine is CCCCC(C)CN.CCCCC(CC)CNC(=O)Nc1cc(NC(=O)NCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)ccc1C.CCCCC(CC)CNC(=O)Nc1ccc(C)c(NC(=O)NCC(CC)CCCC)c1.CCCCC(CC)CNC(=O)Nc1ccc(C)c(NC(=O)NCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)c1.CCCCC(CC)CNC(=O)Nc1cccc(NC(=O)NCC(CC)CCCC)c1C.CCCCC(CC)CNC(=O)Nc1cccc(NC(=O)NCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)c1C.C[Si](C)(C)O[Si](C)(CCCN)O[Si](C)(C)C.Cc1c(N=C=O)cccc1N=C=O.Cc1c(NC(=O)NCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)cccc1NC(=O)NCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C.Cc1ccc(N=C=O)cc1N=C=O.Cc1ccc(NC(=O)NCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)cc1NC(=O)NCCC[Si](C)(O[SiH](C)C)O[Si](C)(C)C.
What is the InChIKey of 1,3-diisocyanato-2-methylbenzene;2,4-diisocyanato-1-methylbenzene;1-[3-(dimethylsilyloxy-methyl-trimethylsilyloxysilyl)propyl]-3-[2-methyl-5-[3-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea;1-(2-ethylhexyl)-3-[3-(2-ethylhexylcarbamoylamino)-2-methylphenyl]urea;1-(2-ethylhexyl)-3-[3-(2-ethylhexylcarbamoylamino)-4-methylphenyl]urea;1-(2-ethylhexyl)-3-[2-methyl-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea;1-(2-ethylhexyl)-3-[2-methyl-5-[3-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea;1-(2-ethylhexyl)-3-[4-methyl-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea;3-[methyl-bis(trimethylsilyloxy)silyl]propan-1-amine;1-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]-3-[2-methyl-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea;2-methylhexan-1-amine?
The InChIKey is ZTFYTBLQRCUYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H64N4O6Si6.C28H62N4O6Si6.3C27H54N4O4Si3.2C25H44N4O2.C10H29NO2Si3.2C9H6N2O2.C7H17N/c1-25-26(32-28(34)30-21-17-23-44(14,36-40(2,3)4)37-41(5,6)7)19-16-20-27(25)33-29(35)31-22-18-24-45(15,38-42(8,9)10)39-43(11,12)13;1-24-17-18-25(31-27(33)29-20-16-22-44(14,37-41(7,8)9)38-42(10,11)12)23-26(24)32-28(34)30-19-15-21-43(13,35-39(2)3)36-40(4,5)6;1-11-13-16-23(12-2)21-29-27(33)31-25-18-14-17-24(22(25)3)30-26(32)28-19-15-20-38(10,34-36(4,5)6)35-37(7,8)9;1-11-13-15-23(12-2)21-29-27(33)30-24-17-16-22(3)25(20-24)31-26(32)28-18-14-19-38(10,34-36(4,5)6)35-37(7,8)9;1-11-13-15-23(12-2)21-29-27(33)31-25-20-24(17-16-22(25)3)30-26(32)28-18-14-19-38(10,34-36(4,5)6)35-37(7,8)9;1-6-10-13-20(8-3)17-26-24(30)28-22-15-12-16-23(19(22)5)29-25(31)27-18-21(9-4)14-11-7-2;1-6-10-12-20(8-3)17-26-24(30)28-22-15-14-19(5)23(16-22)29-25(31)27-18-21(9-4)13-11-7-2;1-14(2,3)12-16(7,10-8-9-11)13-15(4,5)6;1-7-2-3-8(10-5-12)4-9(7)11-6-13;1-7-8(10-5-12)3-2-4-9(7)11-6-13;1-3-4-5-7(2)6-8/h16,19-20H,17-18,21-24H2,1-15H3,(H2,30,32,34)(H2,31,33,35);17-18,23,39H,15-16,19-22H2,1-14H3,(H2,29,31,33)(H2,30,32,34);14,17-18,23H,11-13,15-16,19-21H2,1-10H3,(H2,28,30,32)(H2,29,31,33);16-17,20,23H,11-15,18-19,21H2,1-10H3,(H2,28,31,32)(H2,29,30,33);16-17,20,23H,11-15,18-19,21H2,1-10H3,(H2,28,30,32)(H2,29,31,33);12,15-16,20-21H,6-11,13-14,17-18H2,1-5H3,(H2,26,28,30)(H2,27,29,31);14-16,20-21H,6-13,17-18H2,1-5H3,(H2,26,28,30)(H2,27,29,31);8-11H2,1-7H3;2*2-4H,1H3;7H,3-6,8H2,1-2H3.
What are the key properties of 1,3-diisocyanato-2-methylbenzene;2,4-diisocyanato-1-methylbenzene;1-[3-(dimethylsilyloxy-methyl-trimethylsilyloxysilyl)propyl]-3-[2-methyl-5-[3-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea;1-(2-ethylhexyl)-3-[3-(2-ethylhexylcarbamoylamino)-2-methylphenyl]urea;1-(2-ethylhexyl)-3-[3-(2-ethylhexylcarbamoylamino)-4-methylphenyl]urea;1-(2-ethylhexyl)-3-[2-methyl-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea;1-(2-ethylhexyl)-3-[2-methyl-5-[3-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea;1-(2-ethylhexyl)-3-[4-methyl-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea;3-[methyl-bis(trimethylsilyloxy)silyl]propan-1-amine;1-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]-3-[2-methyl-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea;2-methylhexan-1-amine?
1,3-diisocyanato-2-methylbenzene;2,4-diisocyanato-1-methylbenzene;1-[3-(dimethylsilyloxy-methyl-trimethylsilyloxysilyl)propyl]-3-[2-methyl-5-[3-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea;1-(2-ethylhexyl)-3-[3-(2-ethylhexylcarbamoylamino)-2-methylphenyl]urea;1-(2-ethylhexyl)-3-[3-(2-ethylhexylcarbamoylamino)-4-methylphenyl]urea;1-(2-ethylhexyl)-3-[2-methyl-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea;1-(2-ethylhexyl)-3-[2-methyl-5-[3-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea;1-(2-ethylhexyl)-3-[4-methyl-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea;3-[methyl-bis(trimethylsilyloxy)silyl]propan-1-amine;1-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]-3-[2-methyl-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea;2-methylhexan-1-amine has a molecular weight of 4810.19 g/mol, XLogP of 61.23, 127 rotatable bonds, 30 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diisocyanato-2-methylbenzene;2,4-diisocyanato-1-methylbenzene;1-[3-(dimethylsilyloxy-methyl-trimethylsilyloxysilyl)propyl]-3-[2-methyl-5-[3-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea;1-(2-ethylhexyl)-3-[3-(2-ethylhexylcarbamoylamino)-2-methylphenyl]urea;1-(2-ethylhexyl)-3-[3-(2-ethylhexylcarbamoylamino)-4-methylphenyl]urea;1-(2-ethylhexyl)-3-[2-methyl-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea;1-(2-ethylhexyl)-3-[2-methyl-5-[3-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea;1-(2-ethylhexyl)-3-[4-methyl-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea;3-[methyl-bis(trimethylsilyloxy)silyl]propan-1-amine;1-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl]-3-[2-methyl-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea;2-methylhexan-1-amine is sourced from PubChem (CID 162214129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).