N-tert-butyl-1,3-benzothiazol-2-amine;bis(N-tert-butyl-1,3-dihydroindol-2-imine);N-tert-butyl-1-methylbenzimidazol-2-amine;4-tert-butylmorpholine;3,3-difluoro-1-propan-2-ylazetidine;2-(2,2-dimethylpropyl)naphthalene;2-(2,2-dimethylpropyl)quinoline;3-(2,2-dimethylpropyl)quinoline;N-methyl-N-propan-2-ylcyclopropanamine;1-methyl-N-propan-2-ylindazol-3-amine;2-methyl-N-propan-2-ylpropan-1-amine;2-methyl-N-propan-2-ylpropan-2-amine;2-methylpropylcyclobutane;2-methylpropylcyclohexane;2-methylpropylcyclopentane;6-(2-methylpropyl)isoquinoline;N-propan-2-ylcyclopropanamine;N-propan-2-yl-1H-indazol-3-amine;N-propan-2-ylnaphthalen-1-amine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine

C220H349F2N27OS — CID 165110879

IUPACN-tert-butyl-1,3-benzothiazol-2-amine;bis(N-tert-butyl-1,3-dihydroindol-2-imine);N-tert-butyl-1-methylbenzimidazol-2-amine;4-tert-butylmorpholine;3,3-difluoro-1-propan-2-ylazetidine;2-(2,2-dimethylpropyl)naphthalene;2-(2,2-dimethylpropyl)quinoline;3-(2,2-dimethylpropyl)quinoline;N-methyl-N-propan-2-ylcyclopropanamine;1-methyl-N-propan-2-ylindazol-3-amine;2-methyl-N-propan-2-ylpropan-1-amine;2-methyl-N-propan-2-ylpropan-2-amine;2-methylpropylcyclobutane;2-methylpropylcyclohexane;2-methylpropylcyclopentane;6-(2-methylpropyl)isoquinoline;N-propan-2-ylcyclopropanamine;N-propan-2-yl-1H-indazol-3-amine;N-propan-2-ylnaphthalen-1-amine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
SMILESCC(C)(C)/N=C1\Cc2ccccc2N1.CC(C)(C)/N=C1\Cc2ccccc2N1.CC(C)(C)Cc1ccc2ccccc2c1.CC(C)(C)Cc1ccc2ccccc2n1.CC(C)(C)Cc1cnc2ccccc2c1.CC(C)(C)N1CCOCC1.CC(C)(C)Nc1nc2ccccc2s1.CC(C)CC1CCC1.CC(C)CC1CCCC1.CC(C)CC1CCCCC1.CC(C)CNC(C)C.CC(C)Cc1ccc2cnccc2c1.CC(C)N(C)C1CC1.CC(C)N1CC(F)(F)C1.CC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)NC(C)(C)C.CC(C)NC1CC1.CC(C)Nc1cccc2ccccc12.CC(C)Nc1n[nH]c2ccccc12.CC(C)Nc1nn(C)c2ccccc12.Cn1c(NC(C)(C)C)nc2ccccc21
InChIInChI=1S/C15H18.2C14H17N.2C13H15N.C12H17N3.2C12H16N2.C11H15N3.C11H14N2S.C10H13N3.C10H20.C9H18.C8H17NO.C8H17N.C8H16.2C7H15N.2C7H17N.C6H11F2N.C6H13N/c1-15(2,3)11-12-8-9-13-6-4-5-7-14(13)10-12;1-14(2,3)9-11-8-12-6-4-5-7-13(12)15-10-11;1-14(2,3)10-12-9-8-11-6-4-5-7-13(11)15-12;1-10(2)7-11-3-4-13-9-14-6-5-12(13)8-11;1-10(2)14-13-9-5-7-11-6-3-4-8-12(11)13;1-12(2,3)14-11-13-9-7-5-6-8-10(9)15(11)4;2*1-12(2,3)14-11-8-9-6-4-5-7-10(9)13-11;1-8(2)12-11-9-6-4-5-7-10(9)14(3)13-11;1-11(2,3)13-10-12-8-6-4-5-7-9(8)14-10;1-7(2)11-10-8-5-3-4-6-9(8)12-13-10;1-9(2)8-10-6-4-3-5-7-10;1-8(2)7-9-5-3-4-6-9;1-8(2,3)9-4-6-10-7-5-9;1-8(2)9-6-4-3-5-7-9;1-7(2)6-8-4-3-5-8;1-6(2)8(3)7-4-5-7;1-7(2)8-5-3-4-6-8;1-6(2)8-7(3,4)5;1-6(2)5-8-7(3)4;1-5(2)9-3-6(7,8)4-9;1-5(2)7-6-3-4-6/h4-10H,11H2,1-3H3;4-8,10H,9H2,1-3H3;4-9H,10H2,1-3H3;3-6,8-10H,7H2,1-2H3;3-10,14H,1-2H3;5-8H,1-4H3,(H,13,14);2*4-7H,8H2,1-3H3,(H,13,14);4-8H,1-3H3,(H,12,13);4-7H,1-3H3,(H,12,13);3-7H,1-2H3,(H2,11,12,13);9-10H,3-8H2,1-2H3;8-9H,3-7H2,1-2H3;4-7H2,1-3H3;8H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;6-7H,4-5H2,1-3H3;7H,3-6H2,1-2H3;6,8H,1-5H3;6-8H,5H2,1-4H3;5H,3-4H2,1-2H3;5-7H,3-4H2,1-2H3
InChIKeyZXPZZXZHRUERIQ-UHFFFAOYSA-N
MW3458.46 g/mol
LogP57.50
Rot. Bonds30

About N-tert-butyl-1,3-benzothiazol-2-amine;bis(N-tert-butyl-1,3-dihydroindol-2-imine);N-tert-butyl-1-methylbenzimidazol-2-amine;4-tert-butylmorpholine;3,3-difluoro-1-propan-2-ylazetidine;2-(2,2-dimethylpropyl)naphthalene;2-(2,2-dimethylpropyl)quinoline;3-(2,2-dimethylpropyl)quinoline;N-methyl-N-propan-2-ylcyclopropanamine;1-methyl-N-propan-2-ylindazol-3-amine;2-methyl-N-propan-2-ylpropan-1-amine;2-methyl-N-propan-2-ylpropan-2-amine;2-methylpropylcyclobutane;2-methylpropylcyclohexane;2-methylpropylcyclopentane;6-(2-methylpropyl)isoquinoline;N-propan-2-ylcyclopropanamine;N-propan-2-yl-1H-indazol-3-amine;N-propan-2-ylnaphthalen-1-amine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine

N-tert-butyl-1,3-benzothiazol-2-amine;bis(N-tert-butyl-1,3-dihydroindol-2-imine);N-tert-butyl-1-methylbenzimidazol-2-amine;4-tert-butylmorpholine;3,3-difluoro-1-propan-2-ylazetidine;2-(2,2-dimethylpropyl)naphthalene;2-(2,2-dimethylpropyl)quinoline;3-(2,2-dimethylpropyl)quinoline;N-methyl-N-propan-2-ylcyclopropanamine;1-methyl-N-propan-2-ylindazol-3-amine;2-methyl-N-propan-2-ylpropan-1-amine;2-methyl-N-propan-2-ylpropan-2-amine;2-methylpropylcyclobutane;2-methylpropylcyclohexane;2-methylpropylcyclopentane;6-(2-methylpropyl)isoquinoline;N-propan-2-ylcyclopropanamine;N-propan-2-yl-1H-indazol-3-amine;N-propan-2-ylnaphthalen-1-amine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine (PubChem CID 165110879) has the molecular formula C220H349F2N27OS and a molecular weight of 3458.46 g/mol. Its IUPAC name is N-tert-butyl-1,3-benzothiazol-2-amine;bis(N-tert-butyl-1,3-dihydroindol-2-imine);N-tert-butyl-1-methylbenzimidazol-2-amine;4-tert-butylmorpholine;3,3-difluoro-1-propan-2-ylazetidine;2-(2,2-dimethylpropyl)naphthalene;2-(2,2-dimethylpropyl)quinoline;3-(2,2-dimethylpropyl)quinoline;N-methyl-N-propan-2-ylcyclopropanamine;1-methyl-N-propan-2-ylindazol-3-amine;2-methyl-N-propan-2-ylpropan-1-amine;2-methyl-N-propan-2-ylpropan-2-amine;2-methylpropylcyclobutane;2-methylpropylcyclohexane;2-methylpropylcyclopentane;6-(2-methylpropyl)isoquinoline;N-propan-2-ylcyclopropanamine;N-propan-2-yl-1H-indazol-3-amine;N-propan-2-ylnaphthalen-1-amine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine.

Molecular Properties

Compound NameN-tert-butyl-1,3-benzothiazol-2-amine;bis(N-tert-butyl-1,3-dihydroindol-2-imine);N-tert-butyl-1-methylbenzimidazol-2-amine;4-tert-butylmorpholine;3,3-difluoro-1-propan-2-ylazetidine;2-(2,2-dimethylpropyl)naphthalene;2-(2,2-dimethylpropyl)quinoline;3-(2,2-dimethylpropyl)quinoline;N-methyl-N-propan-2-ylcyclopropanamine;1-methyl-N-propan-2-ylindazol-3-amine;2-methyl-N-propan-2-ylpropan-1-amine;2-methyl-N-propan-2-ylpropan-2-amine;2-methylpropylcyclobutane;2-methylpropylcyclohexane;2-methylpropylcyclopentane;6-(2-methylpropyl)isoquinoline;N-propan-2-ylcyclopropanamine;N-propan-2-yl-1H-indazol-3-amine;N-propan-2-ylnaphthalen-1-amine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
PubChem CID165110879
Molecular FormulaC220H349F2N27OS
Molecular Weight3458.46 g/mol
Exact Mass3455.78
IUPAC NameN-tert-butyl-1,3-benzothiazol-2-amine;bis(N-tert-butyl-1,3-dihydroindol-2-imine);N-tert-butyl-1-methylbenzimidazol-2-amine;4-tert-butylmorpholine;3,3-difluoro-1-propan-2-ylazetidine;2-(2,2-dimethylpropyl)naphthalene;2-(2,2-dimethylpropyl)quinoline;3-(2,2-dimethylpropyl)quinoline;N-methyl-N-propan-2-ylcyclopropanamine;1-methyl-N-propan-2-ylindazol-3-amine;2-methyl-N-propan-2-ylpropan-1-amine;2-methyl-N-propan-2-ylpropan-2-amine;2-methylpropylcyclobutane;2-methylpropylcyclohexane;2-methylpropylcyclopentane;6-(2-methylpropyl)isoquinoline;N-propan-2-ylcyclopropanamine;N-propan-2-yl-1H-indazol-3-amine;N-propan-2-ylnaphthalen-1-amine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
SMILESCC(C)(C)/N=C1\Cc2ccccc2N1.CC(C)(C)/N=C1\Cc2ccccc2N1.CC(C)(C)Cc1ccc2ccccc2c1.CC(C)(C)Cc1ccc2ccccc2n1.CC(C)(C)Cc1cnc2ccccc2c1.CC(C)(C)N1CCOCC1.CC(C)(C)Nc1nc2ccccc2s1.CC(C)CC1CCC1.CC(C)CC1CCCC1.CC(C)CC1CCCCC1.CC(C)CNC(C)C.CC(C)Cc1ccc2cnccc2c1.CC(C)N(C)C1CC1.CC(C)N1CC(F)(F)C1.CC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)NC(C)(C)C.CC(C)NC1CC1.CC(C)Nc1cccc2ccccc12.CC(C)Nc1n[nH]c2ccccc12.CC(C)Nc1nn(C)c2ccccc12.Cn1c(NC(C)(C)C)nc2ccccc21
InChIInChI=1S/C15H18.2C14H17N.2C13H15N.C12H17N3.2C12H16N2.C11H15N3.C11H14N2S.C10H13N3.C10H20.C9H18.C8H17NO.C8H17N.C8H16.2C7H15N.2C7H17N.C6H11F2N.C6H13N/c1-15(2,3)11-12-8-9-13-6-4-5-7-14(13)10-12;1-14(2,3)9-11-8-12-6-4-5-7-13(12)15-10-11;1-14(2,3)10-12-9-8-11-6-4-5-7-13(11)15-12;1-10(2)7-11-3-4-13-9-14-6-5-12(13)8-11;1-10(2)14-13-9-5-7-11-6-3-4-8-12(11)13;1-12(2,3)14-11-13-9-7-5-6-8-10(9)15(11)4;2*1-12(2,3)14-11-8-9-6-4-5-7-10(9)13-11;1-8(2)12-11-9-6-4-5-7-10(9)14(3)13-11;1-11(2,3)13-10-12-8-6-4-5-7-9(8)14-10;1-7(2)11-10-8-5-3-4-6-9(8)12-13-10;1-9(2)8-10-6-4-3-5-7-10;1-8(2)7-9-5-3-4-6-9;1-8(2,3)9-4-6-10-7-5-9;1-8(2)9-6-4-3-5-7-9;1-7(2)6-8-4-3-5-8;1-6(2)8(3)7-4-5-7;1-7(2)8-5-3-4-6-8;1-6(2)8-7(3,4)5;1-6(2)5-8-7(3)4;1-5(2)9-3-6(7,8)4-9;1-5(2)7-6-3-4-6/h4-10H,11H2,1-3H3;4-8,10H,9H2,1-3H3;4-9H,10H2,1-3H3;3-6,8-10H,7H2,1-2H3;3-10,14H,1-2H3;5-8H,1-4H3,(H,13,14);2*4-7H,8H2,1-3H3,(H,13,14);4-8H,1-3H3,(H,12,13);4-7H,1-3H3,(H,12,13);3-7H,1-2H3,(H2,11,12,13);9-10H,3-8H2,1-2H3;8-9H,3-7H2,1-2H3;4-7H2,1-3H3;8H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;6-7H,4-5H2,1-3H3;7H,3-6H2,1-2H3;6,8H,1-5H3;6-8H,5H2,1-4H3;5H,3-4H2,1-2H3;5-7H,3-4H2,1-2H3
InChIKeyZXPZZXZHRUERIQ-UHFFFAOYSA-N
XLogP57.50
TPSA286.33 Ų
H-Bond Donors11
H-Bond Acceptors26
Rotatable Bonds30
Heavy Atoms251
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003458.46
LogP ≤ 557.50
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-tert-butyl-1,3-benzothiazol-2-amine;bis(N-tert-butyl-1,3-dihydroindol-2-imine);N-tert-butyl-1-methylbenzimidazol-2-amine;4-tert-butylmorpholine;3,3-difluoro-1-propan-2-ylazetidine;2-(2,2-dimethylpropyl)naphthalene;2-(2,2-dimethylpropyl)quinoline;3-(2,2-dimethylpropyl)quinoline;N-methyl-N-propan-2-ylcyclopropanamine;1-methyl-N-propan-2-ylindazol-3-amine;2-methyl-N-propan-2-ylpropan-1-amine;2-methyl-N-propan-2-ylpropan-2-amine;2-methylpropylcyclobutane;2-methylpropylcyclohexane;2-methylpropylcyclopentane;6-(2-methylpropyl)isoquinoline;N-propan-2-ylcyclopropanamine;N-propan-2-yl-1H-indazol-3-amine;N-propan-2-ylnaphthalen-1-amine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine with MolForge

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Related Compounds

6-(2-cyclopropylimidazo[1,2-a]pyrimidin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-N-(6-morpholin-4-yl-3-pyridinyl)pyrazin-2-amine;N-(2,3-dihydro-1H-inden-2-yl)-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;N-[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]-1,3-benzothiazol-2-amine;N-[4-(trifluoromethyl)phenyl]-6-(2,4,6-trimethylbenzimidazol-1-yl)pyrazin-2-amine
CID 159999874
1H-benzimidazole;1,3-benzothiazole;imidazo[1,2-a]pyridine;6-methylidene-1H-pyridazine;2-methylidene-1H-pyridine;morpholine;pyrazine;pyrazolo[1,5-a]pyridine;bis(pyridine);pyrimidine;quinoline;quinoxaline;1,3,5-triazine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine
CID 157497115
6-tert-butyl-1H-benzimidazole;6-tert-butyl-1,3-benzothiazole;6-tert-butylimidazo[1,2-a]pyridine;5-tert-butyl-1H-isoindole;6-tert-butyl-1-methylbenzimidazole;6-tert-butylquinazoline;6-tert-butylquinoline;7-tert-butylquinoline;6-tert-butylquinoxaline;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine
CID 158060695
N-[5-(4-amino-3-methanimidoylphenyl)-6-(3-cyclopropylphenyl)-3-pyridinyl]methanesulfonamide;N-[5-(4-amino-3-methanimidoylphenyl)-6-(3-methylphenyl)-3-pyridinyl]methanesulfonamide;5-(1,3-benzothiazol-6-yl)-6-(3-methylphenyl)pyridin-2-amine;N-[6-(4-fluoro-3-methylphenyl)-5-(1H-indazol-5-yl)-3-pyridinyl]methanesulfonamide;4-[2-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]benzimidazol-1-yl]ethyl]morpholine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]isoquinoline;6-[2-(3-methylphenyl)-3-pyridinyl]isoquinoline
CID 158396512
6-tert-butyl-1H-benzimidazole;6-tert-butyl-1,3-benzothiazole;6-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-1H-indazole;5-tert-butyl-1H-isoindole;6-tert-butylquinoline;6-tert-butylquinoxaline;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine
CID 158471910
6-tert-butyl-1H-benzimidazole;6-tert-butyl-1,3-benzothiazole;6-tert-butylimidazo[1,2-a]pyridine;5-tert-butyl-1H-isoindole;6-tert-butyl-1-methylindazole;6-tert-butylquinazoline;6-tert-butylquinoline;7-tert-butylquinoline;6-tert-butylquinoxaline;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine
CID 160066222
1H-benzimidazole;1,3-benzothiazole;imidazo[1,2-a]pyridine;6-methylidene-1H-pyridazine;2-methylidene-1H-pyridine;morpholine;pyrazine;pyrazolo[1,5-a]pyridine;pyridazine;pyridine;pyrimidine;quinoline;quinoxaline;1,2,4-triazine;1,3,5-triazine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine
CID 160389967
1,8a-dihydroimidazo[1,2-a]pyridine;1H-benzimidazole;1,3-benzothiazole;6-methylidene-1H-pyridazine;2-methylidene-1H-pyridine;morpholine;pyrazine;pyrazolo[1,5-a]pyridine;pyridazine;pyridine;pyrimidine;quinoline;quinoxaline;1,2,4-triazine;1,3,5-triazine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine
CID 160939272
6-tert-butyl-1H-benzimidazole;6-tert-butyl-1,3-benzothiazole;6-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-1H-indazole;5-tert-butyl-1H-isoindole;6-tert-butylquinazoline;6-tert-butylquinoline;7-tert-butylquinoline;6-tert-butylquinoxaline;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine
CID 161383745
3-(2-amino-3H-benzimidazol-5-yl)-1-[(2-pyrrolidin-1-ylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine;6-[4-amino-1-[(2-morpholin-4-ylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]quinazolin-4-amine;N-[6-[4-amino-1-[[2-(4-propan-2-ylpiperazin-1-yl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzothiazol-2-yl]acetamide;3-(1H-indol-6-yl)-1-[(2-pyrrolidin-1-ylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 161529398

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1,3-benzothiazol-2-amine;bis(N-tert-butyl-1,3-dihydroindol-2-imine);N-tert-butyl-1-methylbenzimidazol-2-amine;4-tert-butylmorpholine;3,3-difluoro-1-propan-2-ylazetidine;2-(2,2-dimethylpropyl)naphthalene;2-(2,2-dimethylpropyl)quinoline;3-(2,2-dimethylpropyl)quinoline;N-methyl-N-propan-2-ylcyclopropanamine;1-methyl-N-propan-2-ylindazol-3-amine;2-methyl-N-propan-2-ylpropan-1-amine;2-methyl-N-propan-2-ylpropan-2-amine;2-methylpropylcyclobutane;2-methylpropylcyclohexane;2-methylpropylcyclopentane;6-(2-methylpropyl)isoquinoline;N-propan-2-ylcyclopropanamine;N-propan-2-yl-1H-indazol-3-amine;N-propan-2-ylnaphthalen-1-amine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine?
The IUPAC name of N-tert-butyl-1,3-benzothiazol-2-amine;bis(N-tert-butyl-1,3-dihydroindol-2-imine);N-tert-butyl-1-methylbenzimidazol-2-amine;4-tert-butylmorpholine;3,3-difluoro-1-propan-2-ylazetidine;2-(2,2-dimethylpropyl)naphthalene;2-(2,2-dimethylpropyl)quinoline;3-(2,2-dimethylpropyl)quinoline;N-methyl-N-propan-2-ylcyclopropanamine;1-methyl-N-propan-2-ylindazol-3-amine;2-methyl-N-propan-2-ylpropan-1-amine;2-methyl-N-propan-2-ylpropan-2-amine;2-methylpropylcyclobutane;2-methylpropylcyclohexane;2-methylpropylcyclopentane;6-(2-methylpropyl)isoquinoline;N-propan-2-ylcyclopropanamine;N-propan-2-yl-1H-indazol-3-amine;N-propan-2-ylnaphthalen-1-amine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine (CID 165110879) is N-tert-butyl-1,3-benzothiazol-2-amine;bis(N-tert-butyl-1,3-dihydroindol-2-imine);N-tert-butyl-1-methylbenzimidazol-2-amine;4-tert-butylmorpholine;3,3-difluoro-1-propan-2-ylazetidine;2-(2,2-dimethylpropyl)naphthalene;2-(2,2-dimethylpropyl)quinoline;3-(2,2-dimethylpropyl)quinoline;N-methyl-N-propan-2-ylcyclopropanamine;1-methyl-N-propan-2-ylindazol-3-amine;2-methyl-N-propan-2-ylpropan-1-amine;2-methyl-N-propan-2-ylpropan-2-amine;2-methylpropylcyclobutane;2-methylpropylcyclohexane;2-methylpropylcyclopentane;6-(2-methylpropyl)isoquinoline;N-propan-2-ylcyclopropanamine;N-propan-2-yl-1H-indazol-3-amine;N-propan-2-ylnaphthalen-1-amine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine.
What is the SMILES notation for N-tert-butyl-1,3-benzothiazol-2-amine;bis(N-tert-butyl-1,3-dihydroindol-2-imine);N-tert-butyl-1-methylbenzimidazol-2-amine;4-tert-butylmorpholine;3,3-difluoro-1-propan-2-ylazetidine;2-(2,2-dimethylpropyl)naphthalene;2-(2,2-dimethylpropyl)quinoline;3-(2,2-dimethylpropyl)quinoline;N-methyl-N-propan-2-ylcyclopropanamine;1-methyl-N-propan-2-ylindazol-3-amine;2-methyl-N-propan-2-ylpropan-1-amine;2-methyl-N-propan-2-ylpropan-2-amine;2-methylpropylcyclobutane;2-methylpropylcyclohexane;2-methylpropylcyclopentane;6-(2-methylpropyl)isoquinoline;N-propan-2-ylcyclopropanamine;N-propan-2-yl-1H-indazol-3-amine;N-propan-2-ylnaphthalen-1-amine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine?
The canonical SMILES for N-tert-butyl-1,3-benzothiazol-2-amine;bis(N-tert-butyl-1,3-dihydroindol-2-imine);N-tert-butyl-1-methylbenzimidazol-2-amine;4-tert-butylmorpholine;3,3-difluoro-1-propan-2-ylazetidine;2-(2,2-dimethylpropyl)naphthalene;2-(2,2-dimethylpropyl)quinoline;3-(2,2-dimethylpropyl)quinoline;N-methyl-N-propan-2-ylcyclopropanamine;1-methyl-N-propan-2-ylindazol-3-amine;2-methyl-N-propan-2-ylpropan-1-amine;2-methyl-N-propan-2-ylpropan-2-amine;2-methylpropylcyclobutane;2-methylpropylcyclohexane;2-methylpropylcyclopentane;6-(2-methylpropyl)isoquinoline;N-propan-2-ylcyclopropanamine;N-propan-2-yl-1H-indazol-3-amine;N-propan-2-ylnaphthalen-1-amine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine is CC(C)(C)/N=C1\Cc2ccccc2N1.CC(C)(C)/N=C1\Cc2ccccc2N1.CC(C)(C)Cc1ccc2ccccc2c1.CC(C)(C)Cc1ccc2ccccc2n1.CC(C)(C)Cc1cnc2ccccc2c1.CC(C)(C)N1CCOCC1.CC(C)(C)Nc1nc2ccccc2s1.CC(C)CC1CCC1.CC(C)CC1CCCC1.CC(C)CC1CCCCC1.CC(C)CNC(C)C.CC(C)Cc1ccc2cnccc2c1.CC(C)N(C)C1CC1.CC(C)N1CC(F)(F)C1.CC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)NC(C)(C)C.CC(C)NC1CC1.CC(C)Nc1cccc2ccccc12.CC(C)Nc1n[nH]c2ccccc12.CC(C)Nc1nn(C)c2ccccc12.Cn1c(NC(C)(C)C)nc2ccccc21.
What is the InChIKey of N-tert-butyl-1,3-benzothiazol-2-amine;bis(N-tert-butyl-1,3-dihydroindol-2-imine);N-tert-butyl-1-methylbenzimidazol-2-amine;4-tert-butylmorpholine;3,3-difluoro-1-propan-2-ylazetidine;2-(2,2-dimethylpropyl)naphthalene;2-(2,2-dimethylpropyl)quinoline;3-(2,2-dimethylpropyl)quinoline;N-methyl-N-propan-2-ylcyclopropanamine;1-methyl-N-propan-2-ylindazol-3-amine;2-methyl-N-propan-2-ylpropan-1-amine;2-methyl-N-propan-2-ylpropan-2-amine;2-methylpropylcyclobutane;2-methylpropylcyclohexane;2-methylpropylcyclopentane;6-(2-methylpropyl)isoquinoline;N-propan-2-ylcyclopropanamine;N-propan-2-yl-1H-indazol-3-amine;N-propan-2-ylnaphthalen-1-amine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine?
The InChIKey is ZXPZZXZHRUERIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18.2C14H17N.2C13H15N.C12H17N3.2C12H16N2.C11H15N3.C11H14N2S.C10H13N3.C10H20.C9H18.C8H17NO.C8H17N.C8H16.2C7H15N.2C7H17N.C6H11F2N.C6H13N/c1-15(2,3)11-12-8-9-13-6-4-5-7-14(13)10-12;1-14(2,3)9-11-8-12-6-4-5-7-13(12)15-10-11;1-14(2,3)10-12-9-8-11-6-4-5-7-13(11)15-12;1-10(2)7-11-3-4-13-9-14-6-5-12(13)8-11;1-10(2)14-13-9-5-7-11-6-3-4-8-12(11)13;1-12(2,3)14-11-13-9-7-5-6-8-10(9)15(11)4;2*1-12(2,3)14-11-8-9-6-4-5-7-10(9)13-11;1-8(2)12-11-9-6-4-5-7-10(9)14(3)13-11;1-11(2,3)13-10-12-8-6-4-5-7-9(8)14-10;1-7(2)11-10-8-5-3-4-6-9(8)12-13-10;1-9(2)8-10-6-4-3-5-7-10;1-8(2)7-9-5-3-4-6-9;1-8(2,3)9-4-6-10-7-5-9;1-8(2)9-6-4-3-5-7-9;1-7(2)6-8-4-3-5-8;1-6(2)8(3)7-4-5-7;1-7(2)8-5-3-4-6-8;1-6(2)8-7(3,4)5;1-6(2)5-8-7(3)4;1-5(2)9-3-6(7,8)4-9;1-5(2)7-6-3-4-6/h4-10H,11H2,1-3H3;4-8,10H,9H2,1-3H3;4-9H,10H2,1-3H3;3-6,8-10H,7H2,1-2H3;3-10,14H,1-2H3;5-8H,1-4H3,(H,13,14);2*4-7H,8H2,1-3H3,(H,13,14);4-8H,1-3H3,(H,12,13);4-7H,1-3H3,(H,12,13);3-7H,1-2H3,(H2,11,12,13);9-10H,3-8H2,1-2H3;8-9H,3-7H2,1-2H3;4-7H2,1-3H3;8H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;6-7H,4-5H2,1-3H3;7H,3-6H2,1-2H3;6,8H,1-5H3;6-8H,5H2,1-4H3;5H,3-4H2,1-2H3;5-7H,3-4H2,1-2H3.
What are the key properties of N-tert-butyl-1,3-benzothiazol-2-amine;bis(N-tert-butyl-1,3-dihydroindol-2-imine);N-tert-butyl-1-methylbenzimidazol-2-amine;4-tert-butylmorpholine;3,3-difluoro-1-propan-2-ylazetidine;2-(2,2-dimethylpropyl)naphthalene;2-(2,2-dimethylpropyl)quinoline;3-(2,2-dimethylpropyl)quinoline;N-methyl-N-propan-2-ylcyclopropanamine;1-methyl-N-propan-2-ylindazol-3-amine;2-methyl-N-propan-2-ylpropan-1-amine;2-methyl-N-propan-2-ylpropan-2-amine;2-methylpropylcyclobutane;2-methylpropylcyclohexane;2-methylpropylcyclopentane;6-(2-methylpropyl)isoquinoline;N-propan-2-ylcyclopropanamine;N-propan-2-yl-1H-indazol-3-amine;N-propan-2-ylnaphthalen-1-amine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine?
N-tert-butyl-1,3-benzothiazol-2-amine;bis(N-tert-butyl-1,3-dihydroindol-2-imine);N-tert-butyl-1-methylbenzimidazol-2-amine;4-tert-butylmorpholine;3,3-difluoro-1-propan-2-ylazetidine;2-(2,2-dimethylpropyl)naphthalene;2-(2,2-dimethylpropyl)quinoline;3-(2,2-dimethylpropyl)quinoline;N-methyl-N-propan-2-ylcyclopropanamine;1-methyl-N-propan-2-ylindazol-3-amine;2-methyl-N-propan-2-ylpropan-1-amine;2-methyl-N-propan-2-ylpropan-2-amine;2-methylpropylcyclobutane;2-methylpropylcyclohexane;2-methylpropylcyclopentane;6-(2-methylpropyl)isoquinoline;N-propan-2-ylcyclopropanamine;N-propan-2-yl-1H-indazol-3-amine;N-propan-2-ylnaphthalen-1-amine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine has a molecular weight of 3458.46 g/mol, XLogP of 57.50, 30 rotatable bonds, 11 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1,3-benzothiazol-2-amine;bis(N-tert-butyl-1,3-dihydroindol-2-imine);N-tert-butyl-1-methylbenzimidazol-2-amine;4-tert-butylmorpholine;3,3-difluoro-1-propan-2-ylazetidine;2-(2,2-dimethylpropyl)naphthalene;2-(2,2-dimethylpropyl)quinoline;3-(2,2-dimethylpropyl)quinoline;N-methyl-N-propan-2-ylcyclopropanamine;1-methyl-N-propan-2-ylindazol-3-amine;2-methyl-N-propan-2-ylpropan-1-amine;2-methyl-N-propan-2-ylpropan-2-amine;2-methylpropylcyclobutane;2-methylpropylcyclohexane;2-methylpropylcyclopentane;6-(2-methylpropyl)isoquinoline;N-propan-2-ylcyclopropanamine;N-propan-2-yl-1H-indazol-3-amine;N-propan-2-ylnaphthalen-1-amine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine is sourced from PubChem (CID 165110879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).