tert-butyl N-(4-aminocyclohexyl)carbamate;tert-butyl N-[4-(dimethylamino)cyclohexyl]carbamate;tert-butyl N-[3-[[(8-ethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]methyl]phenyl]carbamate;tert-butyl N-[3-[[(8-ethyl-2-methylsulfonylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]methyl]phenyl]carbamate;4-chloro-8-ethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazine;cyclohexane-1,4-diamine;bis(4-N,4-N-dimethylcyclohexane-1,4-diamine)

C94H159ClN26O10S3 — CID 157460342

About tert-butyl N-(4-aminocyclohexyl)carbamate;tert-butyl N-[4-(dimethylamino)cyclohexyl]carbamate;tert-butyl N-[3-[[(8-ethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]methyl]phenyl]carbamate;tert-butyl N-[3-[[(8-ethyl-2-methylsulfonylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]methyl]phenyl]carbamate;4-chloro-8-ethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazine;cyclohexane-1,4-diamine;bis(4-N,4-N-dimethylcyclohexane-1,4-diamine)

tert-butyl N-(4-aminocyclohexyl)carbamate;tert-butyl N-[4-(dimethylamino)cyclohexyl]carbamate;tert-butyl N-[3-[[(8-ethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]methyl]phenyl]carbamate;tert-butyl N-[3-[[(8-ethyl-2-methylsulfonylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]methyl]phenyl]carbamate;4-chloro-8-ethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazine;cyclohexane-1,4-diamine;bis(4-N,4-N-dimethylcyclohexane-1,4-diamine) (PubChem CID 157460342) has the molecular formula C94H159ClN26O10S3 and a molecular weight of 1945.13 g/mol. Its IUPAC name is tert-butyl N-(4-aminocyclohexyl)carbamate;tert-butyl N-[4-(dimethylamino)cyclohexyl]carbamate;tert-butyl N-[3-[[(8-ethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]methyl]phenyl]carbamate;tert-butyl N-[3-[[(8-ethyl-2-methylsulfonylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]methyl]phenyl]carbamate;4-chloro-8-ethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazine;cyclohexane-1,4-diamine;bis(4-N,4-N-dimethylcyclohexane-1,4-diamine).

Molecular Properties

• Compound Name: tert-butyl N-(4-aminocyclohexyl)carbamate;tert-butyl N-[4-(dimethylamino)cyclohexyl]carbamate;tert-butyl N-[3-[[(8-ethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]methyl]phenyl]carbamate;tert-butyl N-[3-[[(8-ethyl-2-methylsulfonylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]methyl]phenyl]carbamate;4-chloro-8-ethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazine;cyclohexane-1,4-diamine;bis(4-N,4-N-dimethylcyclohexane-1,4-diamine)
• PubChem CID: 157460342
• Molecular Formula: C94H159ClN26O10S3
• Molecular Weight: 1945.13 g/mol
• Exact Mass: 1943.16
• IUPAC Name: tert-butyl N-(4-aminocyclohexyl)carbamate;tert-butyl N-[4-(dimethylamino)cyclohexyl]carbamate;tert-butyl N-[3-[[(8-ethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]methyl]phenyl]carbamate;tert-butyl N-[3-[[(8-ethyl-2-methylsulfonylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]methyl]phenyl]carbamate;4-chloro-8-ethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazine;cyclohexane-1,4-diamine;bis(4-N,4-N-dimethylcyclohexane-1,4-diamine)
• SMILES: CC(C)(C)OC(=O)NC1CCC(N)CC1.CCc1cnn2c(Cl)nc(SC)nc12.CCc1cnn2c(NCc3cccc(NC(=O)OC(C)(C)C)c3)nc(S(C)(=O)=O)nc12.CCc1cnn2c(NCc3cccc(NC(=O)OC(C)(C)C)c3)nc(SC)nc12.CN(C)C1CCC(N)CC1.CN(C)C1CCC(N)CC1.CN(C)C1CCC(NC(=O)OC(C)(C)C)CC1.NC1CCC(N)CC1
• InChI: InChI=1S/C20H26N6O4S.C20H26N6O2S.C13H26N2O2.C11H22N2O2.C8H9ClN4S.2C8H18N2.C6H14N2/c1-6-14-12-22-26-16(14)24-18(31(5,28)29)25-17(26)21-11-13-8-7-9-15(10-13)23-19(27)30-20(2,3)4;1-6-14-12-22-26-16(14)24-18(29-5)25-17(26)21-11-13-8-7-9-15(10-13)23-19(27)28-20(2,3)4;1-13(2,3)17-12(16)14-10-6-8-11(9-7-10)15(4)5;1-11(2,3)15-10(14)13-9-6-4-8(12)5-7-9;1-3-5-4-10-13-6(5)11-8(14-2)12-7(13)9;2*1-10(2)8-5-3-7(9)4-6-8;7-5-1-2-6(8)4-3-5/h7-10,12H,6,11H2,1-5H3,(H,23,27)(H,21,24,25);7-10,12H,6,11H2,1-5H3,(H,23,27)(H,21,24,25);10-11H,6-9H2,1-5H3,(H,14,16);8-9H,4-7,12H2,1-3H3,(H,13,14);4H,3H2,1-2H3;2*7-8H,3-6,9H2,1-2H3;5-6H,1-4,7-8H2
• InChIKey: BTVRFBDMOGYQFR-UHFFFAOYSA-N
• XLogP: 15.49
• TPSA: 480.58 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 34
• Rotatable Bonds: 19
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1945.13
LogP ≤ 5	15.49
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-aminocyclohexyl)carbamate;tert-butyl N-[4-(dimethylamino)cyclohexyl]carbamate;tert-butyl N-[3-[[(8-ethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]methyl]phenyl]carbamate;tert-butyl N-[3-[[(8-ethyl-2-methylsulfonylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]methyl]phenyl]carbamate;4-chloro-8-ethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazine;cyclohexane-1,4-diamine;bis(4-N,4-N-dimethylcyclohexane-1,4-diamine)?

The IUPAC name of tert-butyl N-(4-aminocyclohexyl)carbamate;tert-butyl N-[4-(dimethylamino)cyclohexyl]carbamate;tert-butyl N-[3-[[(8-ethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]methyl]phenyl]carbamate;tert-butyl N-[3-[[(8-ethyl-2-methylsulfonylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]methyl]phenyl]carbamate;4-chloro-8-ethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazine;cyclohexane-1,4-diamine;bis(4-N,4-N-dimethylcyclohexane-1,4-diamine) (CID 157460342) is tert-butyl N-(4-aminocyclohexyl)carbamate;tert-butyl N-[4-(dimethylamino)cyclohexyl]carbamate;tert-butyl N-[3-[[(8-ethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]methyl]phenyl]carbamate;tert-butyl N-[3-[[(8-ethyl-2-methylsulfonylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]methyl]phenyl]carbamate;4-chloro-8-ethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazine;cyclohexane-1,4-diamine;bis(4-N,4-N-dimethylcyclohexane-1,4-diamine).

What is the SMILES notation for tert-butyl N-(4-aminocyclohexyl)carbamate;tert-butyl N-[4-(dimethylamino)cyclohexyl]carbamate;tert-butyl N-[3-[[(8-ethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]methyl]phenyl]carbamate;tert-butyl N-[3-[[(8-ethyl-2-methylsulfonylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]methyl]phenyl]carbamate;4-chloro-8-ethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazine;cyclohexane-1,4-diamine;bis(4-N,4-N-dimethylcyclohexane-1,4-diamine)?

The canonical SMILES for tert-butyl N-(4-aminocyclohexyl)carbamate;tert-butyl N-[4-(dimethylamino)cyclohexyl]carbamate;tert-butyl N-[3-[[(8-ethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]methyl]phenyl]carbamate;tert-butyl N-[3-[[(8-ethyl-2-methylsulfonylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]methyl]phenyl]carbamate;4-chloro-8-ethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazine;cyclohexane-1,4-diamine;bis(4-N,4-N-dimethylcyclohexane-1,4-diamine) is CC(C)(C)OC(=O)NC1CCC(N)CC1.CCc1cnn2c(Cl)nc(SC)nc12.CCc1cnn2c(NCc3cccc(NC(=O)OC(C)(C)C)c3)nc(S(C)(=O)=O)nc12.CCc1cnn2c(NCc3cccc(NC(=O)OC(C)(C)C)c3)nc(SC)nc12.CN(C)C1CCC(N)CC1.CN(C)C1CCC(N)CC1.CN(C)C1CCC(NC(=O)OC(C)(C)C)CC1.NC1CCC(N)CC1.

What is the InChIKey of tert-butyl N-(4-aminocyclohexyl)carbamate;tert-butyl N-[4-(dimethylamino)cyclohexyl]carbamate;tert-butyl N-[3-[[(8-ethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]methyl]phenyl]carbamate;tert-butyl N-[3-[[(8-ethyl-2-methylsulfonylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]methyl]phenyl]carbamate;4-chloro-8-ethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazine;cyclohexane-1,4-diamine;bis(4-N,4-N-dimethylcyclohexane-1,4-diamine)?

The InChIKey is BTVRFBDMOGYQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O4S.C20H26N6O2S.C13H26N2O2.C11H22N2O2.C8H9ClN4S.2C8H18N2.C6H14N2/c1-6-14-12-22-26-16(14)24-18(31(5,28)29)25-17(26)21-11-13-8-7-9-15(10-13)23-19(27)30-20(2,3)4;1-6-14-12-22-26-16(14)24-18(29-5)25-17(26)21-11-13-8-7-9-15(10-13)23-19(27)28-20(2,3)4;1-13(2,3)17-12(16)14-10-6-8-11(9-7-10)15(4)5;1-11(2,3)15-10(14)13-9-6-4-8(12)5-7-9;1-3-5-4-10-13-6(5)11-8(14-2)12-7(13)9;2*1-10(2)8-5-3-7(9)4-6-8;7-5-1-2-6(8)4-3-5/h7-10,12H,6,11H2,1-5H3,(H,23,27)(H,21,24,25);7-10,12H,6,11H2,1-5H3,(H,23,27)(H,21,24,25);10-11H,6-9H2,1-5H3,(H,14,16);8-9H,4-7,12H2,1-3H3,(H,13,14);4H,3H2,1-2H3;2*7-8H,3-6,9H2,1-2H3;5-6H,1-4,7-8H2.

What are the key properties of tert-butyl N-(4-aminocyclohexyl)carbamate;tert-butyl N-[4-(dimethylamino)cyclohexyl]carbamate;tert-butyl N-[3-[[(8-ethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]methyl]phenyl]carbamate;tert-butyl N-[3-[[(8-ethyl-2-methylsulfonylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]methyl]phenyl]carbamate;4-chloro-8-ethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazine;cyclohexane-1,4-diamine;bis(4-N,4-N-dimethylcyclohexane-1,4-diamine)?

tert-butyl N-(4-aminocyclohexyl)carbamate;tert-butyl N-[4-(dimethylamino)cyclohexyl]carbamate;tert-butyl N-[3-[[(8-ethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]methyl]phenyl]carbamate;tert-butyl N-[3-[[(8-ethyl-2-methylsulfonylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]methyl]phenyl]carbamate;4-chloro-8-ethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazine;cyclohexane-1,4-diamine;bis(4-N,4-N-dimethylcyclohexane-1,4-diamine) has a molecular weight of 1945.13 g/mol, XLogP of 15.49, 19 rotatable bonds, 11 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-(4-aminocyclohexyl)carbamate;tert-butyl N-[4-(dimethylamino)cyclohexyl]carbamate;tert-butyl N-[3-[[(8-ethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]methyl]phenyl]carbamate;tert-butyl N-[3-[[(8-ethyl-2-methylsulfonylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]methyl]phenyl]carbamate;4-chloro-8-ethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazine;cyclohexane-1,4-diamine;bis(4-N,4-N-dimethylcyclohexane-1,4-diamine) is sourced from PubChem (CID 157460342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).