methane;5-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-2H-benzotriazole;6-propan-2-yl-2,3-dihydro-1H-indole;5-propan-2-yl-2,3-dihydro-1H-isoindole;bis(6-propan-2-yl-1H-indazole);5-propan-2-yl-1H-indene;6-propan-2-yl-1H-indole;6-propan-2-yl-3H-indole;5-propan-2-yl-1H-isoindole;6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;6-propan-2-yl-1H-pyrazolo[4,5-b]pyridine;6-propan-2-yl-1H-pyrazolo[5,4-b]pyridine;6-propan-2-yl-1H-pyrazolo[4,3-c]pyridine;6-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;8-propan-2-yl-2,3,4,5-tetrahydro-1H-2-benzazepine;5-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;6-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;3-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine

C260H393N35S — CID 165006370

IUPACmethane;5-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-2H-benzotriazole;6-propan-2-yl-2,3-dihydro-1H-indole;5-propan-2-yl-2,3-dihydro-1H-isoindole;bis(6-propan-2-yl-1H-indazole);5-propan-2-yl-1H-indene;6-propan-2-yl-1H-indole;6-propan-2-yl-3H-indole;5-propan-2-yl-1H-isoindole;6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;6-propan-2-yl-1H-pyrazolo[4,5-b]pyridine;6-propan-2-yl-1H-pyrazolo[5,4-b]pyridine;6-propan-2-yl-1H-pyrazolo[4,3-c]pyridine;6-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;8-propan-2-yl-2,3,4,5-tetrahydro-1H-2-benzazepine;5-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;6-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;3-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)c1cc2[nH]ncc2cn1.CC(C)c1ccc2c(c1)C=CC2.CC(C)c1ccc2c(c1)C=NC2.CC(C)c1ccc2c(c1)CCNC2.CC(C)c1ccc2c(c1)CNC2.CC(C)c1ccc2c(c1)CNCC2.CC(C)c1ccc2c(c1)CNCCC2.CC(C)c1ccc2c(c1)N=CC2.CC(C)c1ccc2c(c1)NCC2.CC(C)c1ccc2cc[nH]c2c1.CC(C)c1ccc2ccncc2c1.CC(C)c1ccc2cn[nH]c2c1.CC(C)c1ccc2cn[nH]c2c1.CC(C)c1ccc2cn[nH]c2n1.CC(C)c1ccc2cnccc2c1.CC(C)c1ccc2n[nH]nc2c1.CC(C)c1ccc2scnc2c1.CC(C)c1cccc2c1CCNC2.CC(C)c1cccc2c1CNCC2.CC(C)c1cnc2c(c1)CNCC2.CC(C)c1cnc2cn[nH]c2c1.CC(C)c1ncc2cn[nH]c2n1
InChIInChI=1S/C13H19N.C12H17N.C12H13N.C12H17N.C12H13N.2C12H17N.C12H14.C11H16N2.C11H15N.C11H13N.C11H15N.2C11H13N.2C10H12N2.C10H11NS.4C9H11N3.C8H10N4.23CH4/c1-10(2)12-6-5-11-4-3-7-14-9-13(11)8-12;2*1-9(2)10-3-4-12-8-13-6-5-11(12)7-10;2*1-9(2)11-4-3-10-5-6-13-8-12(10)7-11;1-9(2)11-5-3-4-10-8-13-7-6-12(10)11;1-9(2)11-5-3-4-10-6-7-13-8-12(10)11;1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-8(2)9-5-10-6-12-4-3-11(10)13-7-9;2*1-8(2)9-3-4-10-6-12-7-11(10)5-9;3*1-8(2)10-4-3-9-5-6-12-11(9)7-10;2*1-7(2)8-3-4-9-6-11-12-10(9)5-8;1-7(2)8-3-4-10-9(5-8)11-6-12-10;1-6(2)8-3-9-7(4-10-8)5-11-12-9;1-6(2)7-3-8-9(10-4-7)5-11-12-8;1-6(2)8-4-3-7-5-10-12-9(7)11-8;1-6(2)7-3-4-8-9(5-7)11-12-10-8;1-5(2)7-9-3-6-4-10-12-8(6)11-7;;;;;;;;;;;;;;;;;;;;;;;/h5-6,8,10,14H,3-4,7,9H2,1-2H3;3-4,7,9,13H,5-6,8H2,1-2H3;3-9H,1-2H3;3-4,7,9,13H,5-6,8H2,1-2H3;3-9H,1-2H3;2*3-5,9,13H,6-8H2,1-2H3;3,5-9H,4H2,1-2H3;5,7-8,12H,3-4,6H2,1-2H3;3-5,8,12H,6-7H2,1-2H3;3-5,7-8H,6H2,1-2H3;3-4,7-8,12H,5-6H2,1-2H3;3-4,6-8H,5H2,1-2H3;3-8,12H,1-2H3;2*3-7H,1-2H3,(H,11,12);3-7H,1-2H3;2*3-6H,1-2H3,(H,11,12);2*3-6H,1-2H3,(H,10,11,12);3-5H,1-2H3,(H,9,10,11,12);23*1H4
InChIKeyJAGCMNPTBDUDPB-UHFFFAOYSA-N
MW4041.32 g/mol
LogP72.13
Rot. Bonds22

About methane;5-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-2H-benzotriazole;6-propan-2-yl-2,3-dihydro-1H-indole;5-propan-2-yl-2,3-dihydro-1H-isoindole;bis(6-propan-2-yl-1H-indazole);5-propan-2-yl-1H-indene;6-propan-2-yl-1H-indole;6-propan-2-yl-3H-indole;5-propan-2-yl-1H-isoindole;6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;6-propan-2-yl-1H-pyrazolo[4,5-b]pyridine;6-propan-2-yl-1H-pyrazolo[5,4-b]pyridine;6-propan-2-yl-1H-pyrazolo[4,3-c]pyridine;6-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;8-propan-2-yl-2,3,4,5-tetrahydro-1H-2-benzazepine;5-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;6-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;3-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine

methane;5-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-2H-benzotriazole;6-propan-2-yl-2,3-dihydro-1H-indole;5-propan-2-yl-2,3-dihydro-1H-isoindole;bis(6-propan-2-yl-1H-indazole);5-propan-2-yl-1H-indene;6-propan-2-yl-1H-indole;6-propan-2-yl-3H-indole;5-propan-2-yl-1H-isoindole;6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;6-propan-2-yl-1H-pyrazolo[4,5-b]pyridine;6-propan-2-yl-1H-pyrazolo[5,4-b]pyridine;6-propan-2-yl-1H-pyrazolo[4,3-c]pyridine;6-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;8-propan-2-yl-2,3,4,5-tetrahydro-1H-2-benzazepine;5-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;6-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;3-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine (PubChem CID 165006370) has the molecular formula C260H393N35S and a molecular weight of 4041.32 g/mol. Its IUPAC name is methane;5-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-2H-benzotriazole;6-propan-2-yl-2,3-dihydro-1H-indole;5-propan-2-yl-2,3-dihydro-1H-isoindole;bis(6-propan-2-yl-1H-indazole);5-propan-2-yl-1H-indene;6-propan-2-yl-1H-indole;6-propan-2-yl-3H-indole;5-propan-2-yl-1H-isoindole;6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;6-propan-2-yl-1H-pyrazolo[4,5-b]pyridine;6-propan-2-yl-1H-pyrazolo[5,4-b]pyridine;6-propan-2-yl-1H-pyrazolo[4,3-c]pyridine;6-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;8-propan-2-yl-2,3,4,5-tetrahydro-1H-2-benzazepine;5-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;6-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;3-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine.

Molecular Properties

Compound Namemethane;5-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-2H-benzotriazole;6-propan-2-yl-2,3-dihydro-1H-indole;5-propan-2-yl-2,3-dihydro-1H-isoindole;bis(6-propan-2-yl-1H-indazole);5-propan-2-yl-1H-indene;6-propan-2-yl-1H-indole;6-propan-2-yl-3H-indole;5-propan-2-yl-1H-isoindole;6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;6-propan-2-yl-1H-pyrazolo[4,5-b]pyridine;6-propan-2-yl-1H-pyrazolo[5,4-b]pyridine;6-propan-2-yl-1H-pyrazolo[4,3-c]pyridine;6-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;8-propan-2-yl-2,3,4,5-tetrahydro-1H-2-benzazepine;5-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;6-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;3-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine
PubChem CID165006370
Molecular FormulaC260H393N35S
Molecular Weight4041.32 g/mol
Exact Mass4038.15
IUPAC Namemethane;5-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-2H-benzotriazole;6-propan-2-yl-2,3-dihydro-1H-indole;5-propan-2-yl-2,3-dihydro-1H-isoindole;bis(6-propan-2-yl-1H-indazole);5-propan-2-yl-1H-indene;6-propan-2-yl-1H-indole;6-propan-2-yl-3H-indole;5-propan-2-yl-1H-isoindole;6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;6-propan-2-yl-1H-pyrazolo[4,5-b]pyridine;6-propan-2-yl-1H-pyrazolo[5,4-b]pyridine;6-propan-2-yl-1H-pyrazolo[4,3-c]pyridine;6-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;8-propan-2-yl-2,3,4,5-tetrahydro-1H-2-benzazepine;5-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;6-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;3-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)c1cc2[nH]ncc2cn1.CC(C)c1ccc2c(c1)C=CC2.CC(C)c1ccc2c(c1)C=NC2.CC(C)c1ccc2c(c1)CCNC2.CC(C)c1ccc2c(c1)CNC2.CC(C)c1ccc2c(c1)CNCC2.CC(C)c1ccc2c(c1)CNCCC2.CC(C)c1ccc2c(c1)N=CC2.CC(C)c1ccc2c(c1)NCC2.CC(C)c1ccc2cc[nH]c2c1.CC(C)c1ccc2ccncc2c1.CC(C)c1ccc2cn[nH]c2c1.CC(C)c1ccc2cn[nH]c2c1.CC(C)c1ccc2cn[nH]c2n1.CC(C)c1ccc2cnccc2c1.CC(C)c1ccc2n[nH]nc2c1.CC(C)c1ccc2scnc2c1.CC(C)c1cccc2c1CCNC2.CC(C)c1cccc2c1CNCC2.CC(C)c1cnc2c(c1)CNCC2.CC(C)c1cnc2cn[nH]c2c1.CC(C)c1ncc2cn[nH]c2n1
InChIInChI=1S/C13H19N.C12H17N.C12H13N.C12H17N.C12H13N.2C12H17N.C12H14.C11H16N2.C11H15N.C11H13N.C11H15N.2C11H13N.2C10H12N2.C10H11NS.4C9H11N3.C8H10N4.23CH4/c1-10(2)12-6-5-11-4-3-7-14-9-13(11)8-12;2*1-9(2)10-3-4-12-8-13-6-5-11(12)7-10;2*1-9(2)11-4-3-10-5-6-13-8-12(10)7-11;1-9(2)11-5-3-4-10-8-13-7-6-12(10)11;1-9(2)11-5-3-4-10-6-7-13-8-12(10)11;1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-8(2)9-5-10-6-12-4-3-11(10)13-7-9;2*1-8(2)9-3-4-10-6-12-7-11(10)5-9;3*1-8(2)10-4-3-9-5-6-12-11(9)7-10;2*1-7(2)8-3-4-9-6-11-12-10(9)5-8;1-7(2)8-3-4-10-9(5-8)11-6-12-10;1-6(2)8-3-9-7(4-10-8)5-11-12-9;1-6(2)7-3-8-9(10-4-7)5-11-12-8;1-6(2)8-4-3-7-5-10-12-9(7)11-8;1-6(2)7-3-4-8-9(5-7)11-12-10-8;1-5(2)7-9-3-6-4-10-12-8(6)11-7;;;;;;;;;;;;;;;;;;;;;;;/h5-6,8,10,14H,3-4,7,9H2,1-2H3;3-4,7,9,13H,5-6,8H2,1-2H3;3-9H,1-2H3;3-4,7,9,13H,5-6,8H2,1-2H3;3-9H,1-2H3;2*3-5,9,13H,6-8H2,1-2H3;3,5-9H,4H2,1-2H3;5,7-8,12H,3-4,6H2,1-2H3;3-5,8,12H,6-7H2,1-2H3;3-5,7-8H,6H2,1-2H3;3-4,7-8,12H,5-6H2,1-2H3;3-4,6-8H,5H2,1-2H3;3-8,12H,1-2H3;2*3-7H,1-2H3,(H,11,12);3-7H,1-2H3;2*3-6H,1-2H3,(H,11,12);2*3-6H,1-2H3,(H,10,11,12);3-5H,1-2H3,(H,9,10,11,12);23*1H4
InChIKeyJAGCMNPTBDUDPB-UHFFFAOYSA-N
XLogP72.13
TPSA466.41 Ų
H-Bond Donors16
H-Bond Acceptors28
Rotatable Bonds22
Heavy Atoms296
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004041.32
LogP ≤ 572.13
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1028

Analyze methane;5-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-2H-benzotriazole;6-propan-2-yl-2,3-dihydro-1H-indole;5-propan-2-yl-2,3-dihydro-1H-isoindole;bis(6-propan-2-yl-1H-indazole);5-propan-2-yl-1H-indene;6-propan-2-yl-1H-indole;6-propan-2-yl-3H-indole;5-propan-2-yl-1H-isoindole;6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;6-propan-2-yl-1H-pyrazolo[4,5-b]pyridine;6-propan-2-yl-1H-pyrazolo[5,4-b]pyridine;6-propan-2-yl-1H-pyrazolo[4,3-c]pyridine;6-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;8-propan-2-yl-2,3,4,5-tetrahydro-1H-2-benzazepine;5-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;6-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;3-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine with MolForge

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Launch Full Analysis

Related Compounds

ethane;methane;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,2-benzothiazole;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1H-indazole;6-propan-2-yl-3H-indazole;5-propan-2-yl-1H-indene;6-propan-2-yl-1H-indole;6-propan-2-yl-3H-indole;5-propan-2-yl-1H-isoindole;6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;2-propan-2-ylpyridine;6-propan-2-ylquinazoline;6-propan-2-ylquinoline;6-propan-2-ylquinoxaline;6-propan-2-yl-2,3,4,9-tetrahydro-1H-fluorene
CID 165036059
6-propan-2-yl-2,3-dihydro-1H-indole;5-propan-2-yl-2,3-dihydro-1H-isoindole;6-propan-2-yl-1H-indazole;7-propan-2-ylisoquinoline;1-(4-propan-2-ylphenyl)imidazole;4-(4-propan-2-ylphenyl)-2H-pyrrole;1-(4-propan-2-ylphenyl)-2,3,4,5-tetrahydro-1-benzazepine;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;3-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine
CID 157072307
2-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indene;2-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;6-propan-2-yl-3H-indole;2-propan-2-ylnaphthalene;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylquinoline;bis(3-propan-2-ylquinoline);6-propan-2-ylquinoline;2-propan-2-ylthiophene
CID 158834837
5-tert-butyl-1,3-benzothiazole;5-tert-butyl-2,3-dihydro-1H-indene;6-tert-butyl-1H-indazole;6-tert-butyl-1H-indene;6-tert-butyl-1H-indole;ethane
CID 165013385
ethane;2-methylidene-5-propan-2-yl-1H-quinoline;4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1-benzothiophene;5-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;4-propan-2-yl-1H-indazole;4-propan-2-yl-3H-indazole;7-propan-2-yl-1H-indazole;7-propan-2-yl-1H-isoindole;5-propan-2-yl-2H-naphthalen-1-one;3-propan-2-ylpyrazolo[1,5-b]pyridazine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;8-propan-2-yl-3H-quinazolin-4-one;5-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;3-propan-2-ylthieno[2,3-c]pyridine
CID 159331153
ethane;2-methylidene-5-propan-2-yl-1H-quinoline;4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;3-propan-2-yl-1-benzothiophene;5-propan-2-yl-1-benzothiophene;5-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;6-propan-2-ylimidazo[1,2-a]pyridine;4-propan-2-yl-1H-indazole;7-propan-2-yl-1H-indazole;7-propan-2-yl-1H-isoindole;5-propan-2-yl-2H-naphthalen-1-one;8-propan-2-yl-3H-quinazolin-4-one;5-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;3-propan-2-ylthieno[2,3-c]pyridine
CID 157276666
6-tert-butyl-1H-benzimidazole;5-tert-butyl-1,2-benzothiazole;6-tert-butyl-1,3-benzothiazole;6-tert-butyl-1H-indazole;6-tert-butyl-3H-indole;5-tert-butyl-1H-isoindole
CID 160793170
5-tert-butyl-2,3-dihydro-1H-indole;2-tert-butylfuran;5-tert-butyl-3H-pyrrole;cumene;2-propan-2-ylcyclohexa-2,4-dien-1-one;7-propan-2-yl-2,3-dihydro-1-benzofuran;7-propan-2-yl-1H-indene;bis(4-propan-2-yl-1H-indole);6-propan-2-yl-1H-indole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;5-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;bis(3-propan-2-ylthiophene)
CID 159022100
ethane;1-methyl-6-propan-2-ylbenzimidazole;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indol-4-ol;6-propan-2-ylisoquinoline;2-propan-2-yl-1,5-naphthyridine;3-propan-2-yl-1,8-naphthyridine;6-propan-2-ylquinazoline;3-propan-2-ylquinoline;6-propan-2-ylquinoline;6-propan-2-ylquinoxaline
CID 165099029
7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;7-propan-2-yl-1,2,3,4-tetrahydroquinoline
CID 170791399
5-tert-butyl-2,3-dihydro-1H-indole;2-tert-butylfuran;5-tert-butyl-3H-pyrrole;cumene;2-propan-2-ylcyclohexa-2,4-dien-1-one;7-propan-2-yl-2,3-dihydro-1-benzofuran;7-propan-2-yl-1H-indene;bis(4-propan-2-yl-1H-indole);6-propan-2-yl-1H-indole;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrole;5-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 158852313
5-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;5-propan-2-yl-1,4-dihydronaphthalene;6-propan-2-yl-1,4-dihydronaphthalene;7-propan-2-yl-1,2-dihydronaphthalene;8-propan-2-yl-1,2-dihydronaphthalene;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 161499979

Frequently Asked Questions

What is the IUPAC name of methane;5-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-2H-benzotriazole;6-propan-2-yl-2,3-dihydro-1H-indole;5-propan-2-yl-2,3-dihydro-1H-isoindole;bis(6-propan-2-yl-1H-indazole);5-propan-2-yl-1H-indene;6-propan-2-yl-1H-indole;6-propan-2-yl-3H-indole;5-propan-2-yl-1H-isoindole;6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;6-propan-2-yl-1H-pyrazolo[4,5-b]pyridine;6-propan-2-yl-1H-pyrazolo[5,4-b]pyridine;6-propan-2-yl-1H-pyrazolo[4,3-c]pyridine;6-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;8-propan-2-yl-2,3,4,5-tetrahydro-1H-2-benzazepine;5-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;6-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;3-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine?
The IUPAC name of methane;5-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-2H-benzotriazole;6-propan-2-yl-2,3-dihydro-1H-indole;5-propan-2-yl-2,3-dihydro-1H-isoindole;bis(6-propan-2-yl-1H-indazole);5-propan-2-yl-1H-indene;6-propan-2-yl-1H-indole;6-propan-2-yl-3H-indole;5-propan-2-yl-1H-isoindole;6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;6-propan-2-yl-1H-pyrazolo[4,5-b]pyridine;6-propan-2-yl-1H-pyrazolo[5,4-b]pyridine;6-propan-2-yl-1H-pyrazolo[4,3-c]pyridine;6-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;8-propan-2-yl-2,3,4,5-tetrahydro-1H-2-benzazepine;5-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;6-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;3-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine (CID 165006370) is methane;5-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-2H-benzotriazole;6-propan-2-yl-2,3-dihydro-1H-indole;5-propan-2-yl-2,3-dihydro-1H-isoindole;bis(6-propan-2-yl-1H-indazole);5-propan-2-yl-1H-indene;6-propan-2-yl-1H-indole;6-propan-2-yl-3H-indole;5-propan-2-yl-1H-isoindole;6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;6-propan-2-yl-1H-pyrazolo[4,5-b]pyridine;6-propan-2-yl-1H-pyrazolo[5,4-b]pyridine;6-propan-2-yl-1H-pyrazolo[4,3-c]pyridine;6-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;8-propan-2-yl-2,3,4,5-tetrahydro-1H-2-benzazepine;5-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;6-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;3-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine.
What is the SMILES notation for methane;5-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-2H-benzotriazole;6-propan-2-yl-2,3-dihydro-1H-indole;5-propan-2-yl-2,3-dihydro-1H-isoindole;bis(6-propan-2-yl-1H-indazole);5-propan-2-yl-1H-indene;6-propan-2-yl-1H-indole;6-propan-2-yl-3H-indole;5-propan-2-yl-1H-isoindole;6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;6-propan-2-yl-1H-pyrazolo[4,5-b]pyridine;6-propan-2-yl-1H-pyrazolo[5,4-b]pyridine;6-propan-2-yl-1H-pyrazolo[4,3-c]pyridine;6-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;8-propan-2-yl-2,3,4,5-tetrahydro-1H-2-benzazepine;5-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;6-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;3-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine?
The canonical SMILES for methane;5-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-2H-benzotriazole;6-propan-2-yl-2,3-dihydro-1H-indole;5-propan-2-yl-2,3-dihydro-1H-isoindole;bis(6-propan-2-yl-1H-indazole);5-propan-2-yl-1H-indene;6-propan-2-yl-1H-indole;6-propan-2-yl-3H-indole;5-propan-2-yl-1H-isoindole;6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;6-propan-2-yl-1H-pyrazolo[4,5-b]pyridine;6-propan-2-yl-1H-pyrazolo[5,4-b]pyridine;6-propan-2-yl-1H-pyrazolo[4,3-c]pyridine;6-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;8-propan-2-yl-2,3,4,5-tetrahydro-1H-2-benzazepine;5-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;6-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;3-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)c1cc2[nH]ncc2cn1.CC(C)c1ccc2c(c1)C=CC2.CC(C)c1ccc2c(c1)C=NC2.CC(C)c1ccc2c(c1)CCNC2.CC(C)c1ccc2c(c1)CNC2.CC(C)c1ccc2c(c1)CNCC2.CC(C)c1ccc2c(c1)CNCCC2.CC(C)c1ccc2c(c1)N=CC2.CC(C)c1ccc2c(c1)NCC2.CC(C)c1ccc2cc[nH]c2c1.CC(C)c1ccc2ccncc2c1.CC(C)c1ccc2cn[nH]c2c1.CC(C)c1ccc2cn[nH]c2c1.CC(C)c1ccc2cn[nH]c2n1.CC(C)c1ccc2cnccc2c1.CC(C)c1ccc2n[nH]nc2c1.CC(C)c1ccc2scnc2c1.CC(C)c1cccc2c1CCNC2.CC(C)c1cccc2c1CNCC2.CC(C)c1cnc2c(c1)CNCC2.CC(C)c1cnc2cn[nH]c2c1.CC(C)c1ncc2cn[nH]c2n1.
What is the InChIKey of methane;5-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-2H-benzotriazole;6-propan-2-yl-2,3-dihydro-1H-indole;5-propan-2-yl-2,3-dihydro-1H-isoindole;bis(6-propan-2-yl-1H-indazole);5-propan-2-yl-1H-indene;6-propan-2-yl-1H-indole;6-propan-2-yl-3H-indole;5-propan-2-yl-1H-isoindole;6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;6-propan-2-yl-1H-pyrazolo[4,5-b]pyridine;6-propan-2-yl-1H-pyrazolo[5,4-b]pyridine;6-propan-2-yl-1H-pyrazolo[4,3-c]pyridine;6-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;8-propan-2-yl-2,3,4,5-tetrahydro-1H-2-benzazepine;5-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;6-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;3-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine?
The InChIKey is JAGCMNPTBDUDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N.C12H17N.C12H13N.C12H17N.C12H13N.2C12H17N.C12H14.C11H16N2.C11H15N.C11H13N.C11H15N.2C11H13N.2C10H12N2.C10H11NS.4C9H11N3.C8H10N4.23CH4/c1-10(2)12-6-5-11-4-3-7-14-9-13(11)8-12;2*1-9(2)10-3-4-12-8-13-6-5-11(12)7-10;2*1-9(2)11-4-3-10-5-6-13-8-12(10)7-11;1-9(2)11-5-3-4-10-8-13-7-6-12(10)11;1-9(2)11-5-3-4-10-6-7-13-8-12(10)11;1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-8(2)9-5-10-6-12-4-3-11(10)13-7-9;2*1-8(2)9-3-4-10-6-12-7-11(10)5-9;3*1-8(2)10-4-3-9-5-6-12-11(9)7-10;2*1-7(2)8-3-4-9-6-11-12-10(9)5-8;1-7(2)8-3-4-10-9(5-8)11-6-12-10;1-6(2)8-3-9-7(4-10-8)5-11-12-9;1-6(2)7-3-8-9(10-4-7)5-11-12-8;1-6(2)8-4-3-7-5-10-12-9(7)11-8;1-6(2)7-3-4-8-9(5-7)11-12-10-8;1-5(2)7-9-3-6-4-10-12-8(6)11-7;;;;;;;;;;;;;;;;;;;;;;;/h5-6,8,10,14H,3-4,7,9H2,1-2H3;3-4,7,9,13H,5-6,8H2,1-2H3;3-9H,1-2H3;3-4,7,9,13H,5-6,8H2,1-2H3;3-9H,1-2H3;2*3-5,9,13H,6-8H2,1-2H3;3,5-9H,4H2,1-2H3;5,7-8,12H,3-4,6H2,1-2H3;3-5,8,12H,6-7H2,1-2H3;3-5,7-8H,6H2,1-2H3;3-4,7-8,12H,5-6H2,1-2H3;3-4,6-8H,5H2,1-2H3;3-8,12H,1-2H3;2*3-7H,1-2H3,(H,11,12);3-7H,1-2H3;2*3-6H,1-2H3,(H,11,12);2*3-6H,1-2H3,(H,10,11,12);3-5H,1-2H3,(H,9,10,11,12);23*1H4.
What are the key properties of methane;5-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-2H-benzotriazole;6-propan-2-yl-2,3-dihydro-1H-indole;5-propan-2-yl-2,3-dihydro-1H-isoindole;bis(6-propan-2-yl-1H-indazole);5-propan-2-yl-1H-indene;6-propan-2-yl-1H-indole;6-propan-2-yl-3H-indole;5-propan-2-yl-1H-isoindole;6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;6-propan-2-yl-1H-pyrazolo[4,5-b]pyridine;6-propan-2-yl-1H-pyrazolo[5,4-b]pyridine;6-propan-2-yl-1H-pyrazolo[4,3-c]pyridine;6-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;8-propan-2-yl-2,3,4,5-tetrahydro-1H-2-benzazepine;5-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;6-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;3-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine?
methane;5-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-2H-benzotriazole;6-propan-2-yl-2,3-dihydro-1H-indole;5-propan-2-yl-2,3-dihydro-1H-isoindole;bis(6-propan-2-yl-1H-indazole);5-propan-2-yl-1H-indene;6-propan-2-yl-1H-indole;6-propan-2-yl-3H-indole;5-propan-2-yl-1H-isoindole;6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;6-propan-2-yl-1H-pyrazolo[4,5-b]pyridine;6-propan-2-yl-1H-pyrazolo[5,4-b]pyridine;6-propan-2-yl-1H-pyrazolo[4,3-c]pyridine;6-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;8-propan-2-yl-2,3,4,5-tetrahydro-1H-2-benzazepine;5-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;6-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;3-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine has a molecular weight of 4041.32 g/mol, XLogP of 72.13, 22 rotatable bonds, 16 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for methane;5-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-2H-benzotriazole;6-propan-2-yl-2,3-dihydro-1H-indole;5-propan-2-yl-2,3-dihydro-1H-isoindole;bis(6-propan-2-yl-1H-indazole);5-propan-2-yl-1H-indene;6-propan-2-yl-1H-indole;6-propan-2-yl-3H-indole;5-propan-2-yl-1H-isoindole;6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;6-propan-2-yl-1H-pyrazolo[4,5-b]pyridine;6-propan-2-yl-1H-pyrazolo[5,4-b]pyridine;6-propan-2-yl-1H-pyrazolo[4,3-c]pyridine;6-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;8-propan-2-yl-2,3,4,5-tetrahydro-1H-2-benzazepine;5-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;6-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;3-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine is sourced from PubChem (CID 165006370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).