N,5-di(propan-2-yl)-1-benzothiophen-7-amine;N,6-di(propan-2-yl)-1-benzothiophen-4-amine;N,7-di(propan-2-yl)-2,3-dihydro-1,4-benzodioxin-5-amine;N,6-di(propan-2-yl)quinazolin-8-amine;N,7-di(propan-2-yl)quinazolin-5-amine;N,7-di(propan-2-yl)quinoxalin-5-amine

C84H116N12O2S2 — CID 161080929

IUPACN,5-di(propan-2-yl)-1-benzothiophen-7-amine;N,6-di(propan-2-yl)-1-benzothiophen-4-amine;N,7-di(propan-2-yl)-2,3-dihydro-1,4-benzodioxin-5-amine;N,6-di(propan-2-yl)quinazolin-8-amine;N,7-di(propan-2-yl)quinazolin-5-amine;N,7-di(propan-2-yl)quinoxalin-5-amine
SMILESCC(C)Nc1cc(C(C)C)cc2c1OCCO2.CC(C)Nc1cc(C(C)C)cc2ccsc12.CC(C)Nc1cc(C(C)C)cc2cncnc12.CC(C)Nc1cc(C(C)C)cc2nccnc12.CC(C)Nc1cc(C(C)C)cc2ncncc12.CC(C)Nc1cc(C(C)C)cc2sccc12
InChIInChI=1S/3C14H19N3.C14H21NO2.2C14H19NS/c1-9(2)11-5-13-12(7-15-8-16-13)14(6-11)17-10(3)4;1-9(2)11-5-12-7-15-8-16-14(12)13(6-11)17-10(3)4;1-9(2)11-7-12-14(16-6-5-15-12)13(8-11)17-10(3)4;1-9(2)11-7-12(15-10(3)4)14-13(8-11)16-5-6-17-14;1-9(2)11-7-13(15-10(3)4)12-5-6-16-14(12)8-11;1-9(2)12-7-11-5-6-16-14(11)13(8-12)15-10(3)4/h3*5-10,17H,1-4H3;7-10,15H,5-6H2,1-4H3;2*5-10,15H,1-4H3
InChIKeyUFXAPDBKMRDQMK-UHFFFAOYSA-N
MW1390.07 g/mol
LogP23.81
Rot. Bonds18

About N,5-di(propan-2-yl)-1-benzothiophen-7-amine;N,6-di(propan-2-yl)-1-benzothiophen-4-amine;N,7-di(propan-2-yl)-2,3-dihydro-1,4-benzodioxin-5-amine;N,6-di(propan-2-yl)quinazolin-8-amine;N,7-di(propan-2-yl)quinazolin-5-amine;N,7-di(propan-2-yl)quinoxalin-5-amine

N,5-di(propan-2-yl)-1-benzothiophen-7-amine;N,6-di(propan-2-yl)-1-benzothiophen-4-amine;N,7-di(propan-2-yl)-2,3-dihydro-1,4-benzodioxin-5-amine;N,6-di(propan-2-yl)quinazolin-8-amine;N,7-di(propan-2-yl)quinazolin-5-amine;N,7-di(propan-2-yl)quinoxalin-5-amine (PubChem CID 161080929) has the molecular formula C84H116N12O2S2 and a molecular weight of 1390.07 g/mol. Its IUPAC name is N,5-di(propan-2-yl)-1-benzothiophen-7-amine;N,6-di(propan-2-yl)-1-benzothiophen-4-amine;N,7-di(propan-2-yl)-2,3-dihydro-1,4-benzodioxin-5-amine;N,6-di(propan-2-yl)quinazolin-8-amine;N,7-di(propan-2-yl)quinazolin-5-amine;N,7-di(propan-2-yl)quinoxalin-5-amine.

Molecular Properties

Compound NameN,5-di(propan-2-yl)-1-benzothiophen-7-amine;N,6-di(propan-2-yl)-1-benzothiophen-4-amine;N,7-di(propan-2-yl)-2,3-dihydro-1,4-benzodioxin-5-amine;N,6-di(propan-2-yl)quinazolin-8-amine;N,7-di(propan-2-yl)quinazolin-5-amine;N,7-di(propan-2-yl)quinoxalin-5-amine
PubChem CID161080929
Molecular FormulaC84H116N12O2S2
Molecular Weight1390.07 g/mol
Exact Mass1388.88
IUPAC NameN,5-di(propan-2-yl)-1-benzothiophen-7-amine;N,6-di(propan-2-yl)-1-benzothiophen-4-amine;N,7-di(propan-2-yl)-2,3-dihydro-1,4-benzodioxin-5-amine;N,6-di(propan-2-yl)quinazolin-8-amine;N,7-di(propan-2-yl)quinazolin-5-amine;N,7-di(propan-2-yl)quinoxalin-5-amine
SMILESCC(C)Nc1cc(C(C)C)cc2c1OCCO2.CC(C)Nc1cc(C(C)C)cc2ccsc12.CC(C)Nc1cc(C(C)C)cc2cncnc12.CC(C)Nc1cc(C(C)C)cc2nccnc12.CC(C)Nc1cc(C(C)C)cc2ncncc12.CC(C)Nc1cc(C(C)C)cc2sccc12
InChIInChI=1S/3C14H19N3.C14H21NO2.2C14H19NS/c1-9(2)11-5-13-12(7-15-8-16-13)14(6-11)17-10(3)4;1-9(2)11-5-12-7-15-8-16-14(12)13(6-11)17-10(3)4;1-9(2)11-7-12-14(16-6-5-15-12)13(8-11)17-10(3)4;1-9(2)11-7-12(15-10(3)4)14-13(8-11)16-5-6-17-14;1-9(2)11-7-13(15-10(3)4)12-5-6-16-14(12)8-11;1-9(2)12-7-11-5-6-16-14(11)13(8-12)15-10(3)4/h3*5-10,17H,1-4H3;7-10,15H,5-6H2,1-4H3;2*5-10,15H,1-4H3
InChIKeyUFXAPDBKMRDQMK-UHFFFAOYSA-N
XLogP23.81
TPSA167.98 Ų
H-Bond Donors6
H-Bond Acceptors16
Rotatable Bonds18
Heavy Atoms100
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001390.07
LogP ≤ 523.81
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1016

Analyze N,5-di(propan-2-yl)-1-benzothiophen-7-amine;N,6-di(propan-2-yl)-1-benzothiophen-4-amine;N,7-di(propan-2-yl)-2,3-dihydro-1,4-benzodioxin-5-amine;N,6-di(propan-2-yl)quinazolin-8-amine;N,7-di(propan-2-yl)quinazolin-5-amine;N,7-di(propan-2-yl)quinoxalin-5-amine with MolForge

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Launch Full Analysis

Related Compounds

2-propan-2-yl-6-(2-propan-2-yl-4,5-dihydro-1H-naphtho[2,1-e]benzimidazol-7-yl)-3H-phenanthro[9,10-d]imidazole;2-propan-2-yl-6-(2-propan-2-yl-1H-naphtho[2,1-e]benzimidazol-7-yl)-3H-phenanthro[9,10-d]imidazole;2-propan-2-yl-8-(2-propan-2-yl-3H-phenanthro[9,10-d]imidazol-6-yl)-3H-[1]benzothiolo[2,3-e]benzimidazole;2-propan-2-yl-7-(2-propan-2-yl-3H-phenanthro[9,10-d]imidazol-6-yl)-3H-[1]benzothiolo[3,2-f]indole;2-propan-2-yl-7-(2-propan-2-yl-3H-phenanthro[9,10-d]imidazol-6-yl)-1,5-dihydroisochromeno[3,4-e]benzimidazole;9-propan-2-yl-15-(2-propan-2-yl-3H-phenanthro[9,10-d]imidazol-6-yl)-3-thia-8-azatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),8,13,15-heptaene;4-propan-2-yl-10-(2-propan-2-yl-3H-phenanthro[9,10-d]imidazol-6-yl)-3,14,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),8,10,13,15-octaene
CID 157157440
methane;2-propan-2-yl-6-(2-propan-2-yl-4,5-dihydro-1H-naphtho[2,1-e]benzimidazol-7-yl)-3H-phenanthro[9,10-d]imidazole;2-propan-2-yl-8-(2-propan-2-yl-3H-phenanthro[9,10-d]imidazol-6-yl)-3H-[1]benzothiolo[2,3-e]benzimidazole;2-propan-2-yl-7-(2-propan-2-yl-3H-phenanthro[9,10-d]imidazol-6-yl)-3H-[1]benzothiolo[3,2-f]indole;2-propan-2-yl-7-(2-propan-2-yl-3H-phenanthro[9,10-d]imidazol-6-yl)-1,5-dihydroisochromeno[3,4-e]benzimidazole;9-propan-2-yl-15-(2-propan-2-yl-3H-phenanthro[9,10-d]imidazol-6-yl)-3-thia-8-azatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),8,13,15-heptaene;4-propan-2-yl-10-(2-propan-2-yl-3H-phenanthro[9,10-d]imidazol-6-yl)-3,14,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),8,10,13,15-octaene
CID 157961011
N,5-di(propan-2-yl)-1-benzothiophen-7-amine;N,6-di(propan-2-yl)-1-benzothiophen-4-amine;N,7-di(propan-2-yl)cinnolin-5-amine;N,7-di(propan-2-yl)-2,3-dihydro-1,4-benzodioxin-5-amine;N,6-di(propan-2-yl)-3,4-dihydro-2H-chromen-8-amine;N,7-di(propan-2-yl)-3,4-dihydro-2H-chromen-5-amine;N,7-di(propan-2-yl)quinoxalin-5-amine
CID 158497834
CID 159042746
CID 159042746
6-(4-tert-butylphenyl)-1H-benzimidazole;7-(4-tert-butylphenyl)-2H-1,4-benzothiazine;7-(4-tert-butylphenyl)-2H-1,4-benzoxazine;6-(4-tert-butylphenyl)-2,3-dihydro-1,4-benzodioxine;7-(4-tert-butylphenyl)-3,4-dihydro-2H-1,4-benzothiazine;7-(4-tert-butylphenyl)-3,4-dihydro-2H-1,4-benzoxazine;6-(4-tert-butylphenyl)quinoxaline;6-(4-tert-butylphenyl)-1,2,3,4-tetrahydroquinoline
CID 159053639
CID 159352593
CID 159352593
N,5-di(propan-2-yl)-1,3-benzothiazol-7-amine;N,5-di(propan-2-yl)-1-benzothiophen-7-amine;N,6-di(propan-2-yl)-1-benzothiophen-4-amine;N,7-di(propan-2-yl)-2,3-dihydro-1,4-benzodioxin-5-amine;N,6-di(propan-2-yl)-3,4-dihydro-2H-chromen-8-amine;N,7-di(propan-2-yl)-3,4-dihydro-2H-chromen-5-amine;N,7-di(propan-2-yl)quinoxalin-5-amine
CID 159462607
CID 160053718
CID 160053718
6-(4-tert-butylphenyl)-1H-benzimidazole;7-(4-tert-butylphenyl)-2H-1,4-benzoxazine;6-(4-tert-butylphenyl)-2,3-dihydro-1,4-benzodioxine;7-(4-tert-butylphenyl)-3,4-dihydro-2H-1,4-benzothiazine;7-(4-tert-butylphenyl)-3,4-dihydro-2H-1,4-benzoxazine;6-(4-tert-butylphenyl)quinoxaline;6-(4-tert-butylphenyl)-1,2,3,4-tetrahydroquinoline
CID 160115047
1-N-methyl-4-N-(24-methyl-19,22-dioxa-15,26-diazahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18(23),24-undecaen-17-yl)benzene-1,4-diamine;1-N-methyl-4-N-(10-methyl-7,8-dithiophen-2-yl-2,3-dihydro-[1,4]dithiino[2,3-g]quinoxalin-5-yl)benzene-1,4-diamine;1-N-methyl-4-N-(10-methyl-2,3-dithiophen-2-ylpyrazino[2,3-g]quinoxalin-5-yl)benzene-1,4-diamine
CID 160119444
N,5-di(propan-2-yl)-1-benzothiophen-7-amine;N,6-di(propan-2-yl)-1-benzothiophen-4-amine;N,7-di(propan-2-yl)-2,3-dihydro-1,4-benzodioxin-5-amine;N,6-di(propan-2-yl)-3,4-dihydro-2H-chromen-8-amine;N,6-di(propan-2-yl)quinazolin-8-amine;N,7-di(propan-2-yl)quinazolin-5-amine;N,7-di(propan-2-yl)quinoxalin-5-amine
CID 160215670
4-propan-2-yl-15-(2-propan-2-yl-4,5-dihydro-1H-naphtho[2,1-e]benzimidazol-7-yl)-3,5,8,11-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7,9,11,14,16-octaene;2-propan-2-yl-8-(4-propan-2-yl-3,5,8,11-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7,9,11,14,16-octaen-15-yl)-3H-[1]benzothiolo[2,3-e]benzimidazole;2-propan-2-yl-7-(4-propan-2-yl-3,5,8,11-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7,9,11,14,16-octaen-15-yl)-3H-[1]benzothiolo[3,2-f]indole;2-propan-2-yl-7-(4-propan-2-yl-3,5,8,11-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7,9,11,14,16-octaen-15-yl)-1,5-dihydroisochromeno[3,4-e]benzimidazole
CID 160585049

Frequently Asked Questions

What is the IUPAC name of N,5-di(propan-2-yl)-1-benzothiophen-7-amine;N,6-di(propan-2-yl)-1-benzothiophen-4-amine;N,7-di(propan-2-yl)-2,3-dihydro-1,4-benzodioxin-5-amine;N,6-di(propan-2-yl)quinazolin-8-amine;N,7-di(propan-2-yl)quinazolin-5-amine;N,7-di(propan-2-yl)quinoxalin-5-amine?
The IUPAC name of N,5-di(propan-2-yl)-1-benzothiophen-7-amine;N,6-di(propan-2-yl)-1-benzothiophen-4-amine;N,7-di(propan-2-yl)-2,3-dihydro-1,4-benzodioxin-5-amine;N,6-di(propan-2-yl)quinazolin-8-amine;N,7-di(propan-2-yl)quinazolin-5-amine;N,7-di(propan-2-yl)quinoxalin-5-amine (CID 161080929) is N,5-di(propan-2-yl)-1-benzothiophen-7-amine;N,6-di(propan-2-yl)-1-benzothiophen-4-amine;N,7-di(propan-2-yl)-2,3-dihydro-1,4-benzodioxin-5-amine;N,6-di(propan-2-yl)quinazolin-8-amine;N,7-di(propan-2-yl)quinazolin-5-amine;N,7-di(propan-2-yl)quinoxalin-5-amine.
What is the SMILES notation for N,5-di(propan-2-yl)-1-benzothiophen-7-amine;N,6-di(propan-2-yl)-1-benzothiophen-4-amine;N,7-di(propan-2-yl)-2,3-dihydro-1,4-benzodioxin-5-amine;N,6-di(propan-2-yl)quinazolin-8-amine;N,7-di(propan-2-yl)quinazolin-5-amine;N,7-di(propan-2-yl)quinoxalin-5-amine?
The canonical SMILES for N,5-di(propan-2-yl)-1-benzothiophen-7-amine;N,6-di(propan-2-yl)-1-benzothiophen-4-amine;N,7-di(propan-2-yl)-2,3-dihydro-1,4-benzodioxin-5-amine;N,6-di(propan-2-yl)quinazolin-8-amine;N,7-di(propan-2-yl)quinazolin-5-amine;N,7-di(propan-2-yl)quinoxalin-5-amine is CC(C)Nc1cc(C(C)C)cc2c1OCCO2.CC(C)Nc1cc(C(C)C)cc2ccsc12.CC(C)Nc1cc(C(C)C)cc2cncnc12.CC(C)Nc1cc(C(C)C)cc2nccnc12.CC(C)Nc1cc(C(C)C)cc2ncncc12.CC(C)Nc1cc(C(C)C)cc2sccc12.
What is the InChIKey of N,5-di(propan-2-yl)-1-benzothiophen-7-amine;N,6-di(propan-2-yl)-1-benzothiophen-4-amine;N,7-di(propan-2-yl)-2,3-dihydro-1,4-benzodioxin-5-amine;N,6-di(propan-2-yl)quinazolin-8-amine;N,7-di(propan-2-yl)quinazolin-5-amine;N,7-di(propan-2-yl)quinoxalin-5-amine?
The InChIKey is UFXAPDBKMRDQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/3C14H19N3.C14H21NO2.2C14H19NS/c1-9(2)11-5-13-12(7-15-8-16-13)14(6-11)17-10(3)4;1-9(2)11-5-12-7-15-8-16-14(12)13(6-11)17-10(3)4;1-9(2)11-7-12-14(16-6-5-15-12)13(8-11)17-10(3)4;1-9(2)11-7-12(15-10(3)4)14-13(8-11)16-5-6-17-14;1-9(2)11-7-13(15-10(3)4)12-5-6-16-14(12)8-11;1-9(2)12-7-11-5-6-16-14(11)13(8-12)15-10(3)4/h3*5-10,17H,1-4H3;7-10,15H,5-6H2,1-4H3;2*5-10,15H,1-4H3.
What are the key properties of N,5-di(propan-2-yl)-1-benzothiophen-7-amine;N,6-di(propan-2-yl)-1-benzothiophen-4-amine;N,7-di(propan-2-yl)-2,3-dihydro-1,4-benzodioxin-5-amine;N,6-di(propan-2-yl)quinazolin-8-amine;N,7-di(propan-2-yl)quinazolin-5-amine;N,7-di(propan-2-yl)quinoxalin-5-amine?
N,5-di(propan-2-yl)-1-benzothiophen-7-amine;N,6-di(propan-2-yl)-1-benzothiophen-4-amine;N,7-di(propan-2-yl)-2,3-dihydro-1,4-benzodioxin-5-amine;N,6-di(propan-2-yl)quinazolin-8-amine;N,7-di(propan-2-yl)quinazolin-5-amine;N,7-di(propan-2-yl)quinoxalin-5-amine has a molecular weight of 1390.07 g/mol, XLogP of 23.81, 18 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-di(propan-2-yl)-1-benzothiophen-7-amine;N,6-di(propan-2-yl)-1-benzothiophen-4-amine;N,7-di(propan-2-yl)-2,3-dihydro-1,4-benzodioxin-5-amine;N,6-di(propan-2-yl)quinazolin-8-amine;N,7-di(propan-2-yl)quinazolin-5-amine;N,7-di(propan-2-yl)quinoxalin-5-amine is sourced from PubChem (CID 161080929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).