6-tert-butyl-1-propan-2-ylindole;2,5-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;1,5-di(propan-2-yl)-3,4-dihydroquinolin-2-one;1,5-di(propan-2-yl)indole;2-methylidene-1,6-di(propan-2-yl)-3,4-dihydroquinoline;2-methylidene-1,7-di(propan-2-yl)-3,4-dihydroquinoline;2-methylidene-1,4-di(propan-2-yl)-3H-indole;2-methylidene-1,5-di(propan-2-yl)-3H-indole;2-methylidene-1,6-di(propan-2-yl)-3H-indole

C136H193N9O — CID 157127326

IUPAC6-tert-butyl-1-propan-2-ylindole;2,5-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;1,5-di(propan-2-yl)-3,4-dihydroquinolin-2-one;1,5-di(propan-2-yl)indole;2-methylidene-1,6-di(propan-2-yl)-3,4-dihydroquinoline;2-methylidene-1,7-di(propan-2-yl)-3,4-dihydroquinoline;2-methylidene-1,4-di(propan-2-yl)-3H-indole;2-methylidene-1,5-di(propan-2-yl)-3H-indole;2-methylidene-1,6-di(propan-2-yl)-3H-indole
SMILESC=C1CCc2cc(C(C)C)ccc2N1C(C)C.C=C1CCc2ccc(C(C)C)cc2N1C(C)C.C=C1Cc2c(C(C)C)cccc2N1C(C)C.C=C1Cc2cc(C(C)C)ccc2N1C(C)C.C=C1Cc2ccc(C(C)C)cc2N1C(C)C.CC(C)c1ccc2c(ccn2C(C)C)c1.CC(C)c1cccc2c1CCC(=O)N2C(C)C.CC(C)c1cccc2c1CCN(C(C)C)C2.CC(C)n1ccc2ccc(C(C)(C)C)cc21
InChIInChI=1S/2C16H23N.C15H21NO.4C15H21N.C15H23N.C14H19N/c1-11(2)14-8-9-16-15(10-14)7-6-13(5)17(16)12(3)4;1-11(2)15-9-8-14-7-6-13(5)17(12(3)4)16(14)10-15;1-10(2)12-6-5-7-14-13(12)8-9-15(17)16(14)11(3)4;1-10(2)13-6-7-15-14(9-13)8-12(5)16(15)11(3)4;1-10(2)13-6-7-14-8-12(5)16(11(3)4)15(14)9-13;1-11(2)16-9-8-12-6-7-13(10-14(12)16)15(3,4)5;1-10(2)13-7-6-8-15-14(13)9-12(5)16(15)11(3)4;1-11(2)14-7-5-6-13-10-16(12(3)4)9-8-15(13)14;1-10(2)12-5-6-14-13(9-12)7-8-15(14)11(3)4/h2*8-12H,5-7H2,1-4H3;5-7,10-11H,8-9H2,1-4H3;2*6-7,9-11H,5,8H2,1-4H3;6-11H,1-5H3;6-8,10-11H,5,9H2,1-4H3;5-7,11-12H,8-10H2,1-4H3;5-11H,1-4H3
InChIKeyAIQSUXCYSGCHDI-UHFFFAOYSA-N
MW1970.10 g/mol
LogP37.19
Rot. Bonds17

About 6-tert-butyl-1-propan-2-ylindole;2,5-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;1,5-di(propan-2-yl)-3,4-dihydroquinolin-2-one;1,5-di(propan-2-yl)indole;2-methylidene-1,6-di(propan-2-yl)-3,4-dihydroquinoline;2-methylidene-1,7-di(propan-2-yl)-3,4-dihydroquinoline;2-methylidene-1,4-di(propan-2-yl)-3H-indole;2-methylidene-1,5-di(propan-2-yl)-3H-indole;2-methylidene-1,6-di(propan-2-yl)-3H-indole

6-tert-butyl-1-propan-2-ylindole;2,5-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;1,5-di(propan-2-yl)-3,4-dihydroquinolin-2-one;1,5-di(propan-2-yl)indole;2-methylidene-1,6-di(propan-2-yl)-3,4-dihydroquinoline;2-methylidene-1,7-di(propan-2-yl)-3,4-dihydroquinoline;2-methylidene-1,4-di(propan-2-yl)-3H-indole;2-methylidene-1,5-di(propan-2-yl)-3H-indole;2-methylidene-1,6-di(propan-2-yl)-3H-indole (PubChem CID 157127326) has the molecular formula C136H193N9O and a molecular weight of 1970.10 g/mol. Its IUPAC name is 6-tert-butyl-1-propan-2-ylindole;2,5-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;1,5-di(propan-2-yl)-3,4-dihydroquinolin-2-one;1,5-di(propan-2-yl)indole;2-methylidene-1,6-di(propan-2-yl)-3,4-dihydroquinoline;2-methylidene-1,7-di(propan-2-yl)-3,4-dihydroquinoline;2-methylidene-1,4-di(propan-2-yl)-3H-indole;2-methylidene-1,5-di(propan-2-yl)-3H-indole;2-methylidene-1,6-di(propan-2-yl)-3H-indole.

Molecular Properties

Compound Name6-tert-butyl-1-propan-2-ylindole;2,5-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;1,5-di(propan-2-yl)-3,4-dihydroquinolin-2-one;1,5-di(propan-2-yl)indole;2-methylidene-1,6-di(propan-2-yl)-3,4-dihydroquinoline;2-methylidene-1,7-di(propan-2-yl)-3,4-dihydroquinoline;2-methylidene-1,4-di(propan-2-yl)-3H-indole;2-methylidene-1,5-di(propan-2-yl)-3H-indole;2-methylidene-1,6-di(propan-2-yl)-3H-indole
PubChem CID157127326
Molecular FormulaC136H193N9O
Molecular Weight1970.10 g/mol
Exact Mass1968.53
IUPAC Name6-tert-butyl-1-propan-2-ylindole;2,5-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;1,5-di(propan-2-yl)-3,4-dihydroquinolin-2-one;1,5-di(propan-2-yl)indole;2-methylidene-1,6-di(propan-2-yl)-3,4-dihydroquinoline;2-methylidene-1,7-di(propan-2-yl)-3,4-dihydroquinoline;2-methylidene-1,4-di(propan-2-yl)-3H-indole;2-methylidene-1,5-di(propan-2-yl)-3H-indole;2-methylidene-1,6-di(propan-2-yl)-3H-indole
SMILESC=C1CCc2cc(C(C)C)ccc2N1C(C)C.C=C1CCc2ccc(C(C)C)cc2N1C(C)C.C=C1Cc2c(C(C)C)cccc2N1C(C)C.C=C1Cc2cc(C(C)C)ccc2N1C(C)C.C=C1Cc2ccc(C(C)C)cc2N1C(C)C.CC(C)c1ccc2c(ccn2C(C)C)c1.CC(C)c1cccc2c1CCC(=O)N2C(C)C.CC(C)c1cccc2c1CCN(C(C)C)C2.CC(C)n1ccc2ccc(C(C)(C)C)cc21
InChIInChI=1S/2C16H23N.C15H21NO.4C15H21N.C15H23N.C14H19N/c1-11(2)14-8-9-16-15(10-14)7-6-13(5)17(16)12(3)4;1-11(2)15-9-8-14-7-6-13(5)17(12(3)4)16(14)10-15;1-10(2)12-6-5-7-14-13(12)8-9-15(17)16(14)11(3)4;1-10(2)13-6-7-15-14(9-13)8-12(5)16(15)11(3)4;1-10(2)13-6-7-14-8-12(5)16(11(3)4)15(14)9-13;1-11(2)16-9-8-12-6-7-13(10-14(12)16)15(3,4)5;1-10(2)13-7-6-8-15-14(13)9-12(5)16(15)11(3)4;1-11(2)14-7-5-6-13-10-16(12(3)4)9-8-15(13)14;1-10(2)12-5-6-14-13(9-12)7-8-15(14)11(3)4/h2*8-12H,5-7H2,1-4H3;5-7,10-11H,8-9H2,1-4H3;2*6-7,9-11H,5,8H2,1-4H3;6-11H,1-5H3;6-8,10-11H,5,9H2,1-4H3;5-7,11-12H,8-10H2,1-4H3;5-11H,1-4H3
InChIKeyAIQSUXCYSGCHDI-UHFFFAOYSA-N
XLogP37.19
TPSA49.61 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds17
Heavy Atoms146
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001970.10
LogP ≤ 537.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 6-tert-butyl-1-propan-2-ylindole;2,5-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;1,5-di(propan-2-yl)-3,4-dihydroquinolin-2-one;1,5-di(propan-2-yl)indole;2-methylidene-1,6-di(propan-2-yl)-3,4-dihydroquinoline;2-methylidene-1,7-di(propan-2-yl)-3,4-dihydroquinoline;2-methylidene-1,4-di(propan-2-yl)-3H-indole;2-methylidene-1,5-di(propan-2-yl)-3H-indole;2-methylidene-1,6-di(propan-2-yl)-3H-indole with MolForge

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Related Compounds

1-(7-Aza-bicyclo[2.2.1]hept-7-yl)-2-{2-(3,5-dimethyl-phenyl)-3-[(S)-2-(3-isoquinolin-5-yl-propylamino)-1-methyl-ethyl]-1H-indol-5-yl}-2-methyl-propan-1-one
CID 44380147
1-(7-Aza-bicyclo[2.2.1]hept-7-yl)-2-{2-(3,5-dimethyl-phenyl)-3-[(S)-2-(3-isoquinolin-6-yl-propylamino)-1-methyl-ethyl]-1H-indol-5-yl}-2-methyl-propan-1-one
CID 44380478
1-(7-Aza-bicyclo[2.2.1]hept-7-yl)-2-{2-(3,5-dimethyl-phenyl)-3-[(S)-2-(2-isoquinolin-5-yl-ethylamino)-1-methyl-ethyl]-1H-indol-5-yl}-2-methyl-propan-1-one
CID 44380796
1-(7-Aza-bicyclo[2.2.1]hept-7-yl)-2-{2-(3,5-dimethyl-phenyl)-3-[(S)-2-(4-isoquinolin-6-yl-butylamino)-1-methyl-ethyl]-1H-indol-5-yl}-2-methyl-propan-1-one
CID 44380148
1-(7-Aza-bicyclo[2.2.1]hept-7-yl)-2-(2-(3,5-dimethyl-phenyl)-3-{(S)-1-methyl-2-[(quinolin-5-ylmethyl)-amino]-ethyl}-1H-indol-5-yl)-2-methyl-propan-1-one
CID 44380192
1-(7-Aza-bicyclo[2.2.1]hept-7-yl)-2-{2-(3,5-dimethyl-phenyl)-3-[(S)-1-methyl-2-(3-quinolin-5-yl-propylamino)-ethyl]-1H-indol-5-yl}-2-methyl-propan-1-one
CID 44380212
1-(7-Aza-bicyclo[2.2.1]hept-7-yl)-2-{2-(3,5-dimethyl-phenyl)-3-[(S)-2-(4-isoquinolin-4-yl-butylamino)-1-methyl-ethyl]-1H-indol-5-yl}-2-methyl-propan-1-one
CID 44380317
1-(7-Aza-bicyclo[2.2.1]hept-7-yl)-2-{2-(3,5-dimethyl-phenyl)-3-[(S)-1-methyl-2-(4-quinolin-5-yl-butylamino)-ethyl]-1H-indol-5-yl}-2-methyl-propan-1-one
CID 44380319
1-(7-Aza-bicyclo[2.2.1]hept-7-yl)-2-{2-(3,5-dimethyl-phenyl)-3-[(S)-2-(3-isoquinolin-4-yl-propylamino)-1-methyl-ethyl]-1H-indol-5-yl}-2-methyl-propan-1-one
CID 44380552
1-(7-Aza-bicyclo[2.2.1]hept-7-yl)-2-{2-(3,5-dimethyl-phenyl)-3-[(S)-2-(4-isoquinolin-5-yl-butylamino)-1-methyl-ethyl]-1H-indol-5-yl}-2-methyl-propan-1-one
CID 44380797
(1R,2R,5E,9S,17S)-5-[[1-(naphthalen-2-ylmethyl)indol-3-yl]methylidene]-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one
CID 145966655
(1R,2R,5E,9S,17S)-5-[[1-[(4-tert-butylphenyl)methyl]indol-4-yl]methylidene]-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one
CID 145967293

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1-propan-2-ylindole;2,5-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;1,5-di(propan-2-yl)-3,4-dihydroquinolin-2-one;1,5-di(propan-2-yl)indole;2-methylidene-1,6-di(propan-2-yl)-3,4-dihydroquinoline;2-methylidene-1,7-di(propan-2-yl)-3,4-dihydroquinoline;2-methylidene-1,4-di(propan-2-yl)-3H-indole;2-methylidene-1,5-di(propan-2-yl)-3H-indole;2-methylidene-1,6-di(propan-2-yl)-3H-indole?
The IUPAC name of 6-tert-butyl-1-propan-2-ylindole;2,5-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;1,5-di(propan-2-yl)-3,4-dihydroquinolin-2-one;1,5-di(propan-2-yl)indole;2-methylidene-1,6-di(propan-2-yl)-3,4-dihydroquinoline;2-methylidene-1,7-di(propan-2-yl)-3,4-dihydroquinoline;2-methylidene-1,4-di(propan-2-yl)-3H-indole;2-methylidene-1,5-di(propan-2-yl)-3H-indole;2-methylidene-1,6-di(propan-2-yl)-3H-indole (CID 157127326) is 6-tert-butyl-1-propan-2-ylindole;2,5-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;1,5-di(propan-2-yl)-3,4-dihydroquinolin-2-one;1,5-di(propan-2-yl)indole;2-methylidene-1,6-di(propan-2-yl)-3,4-dihydroquinoline;2-methylidene-1,7-di(propan-2-yl)-3,4-dihydroquinoline;2-methylidene-1,4-di(propan-2-yl)-3H-indole;2-methylidene-1,5-di(propan-2-yl)-3H-indole;2-methylidene-1,6-di(propan-2-yl)-3H-indole.
What is the SMILES notation for 6-tert-butyl-1-propan-2-ylindole;2,5-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;1,5-di(propan-2-yl)-3,4-dihydroquinolin-2-one;1,5-di(propan-2-yl)indole;2-methylidene-1,6-di(propan-2-yl)-3,4-dihydroquinoline;2-methylidene-1,7-di(propan-2-yl)-3,4-dihydroquinoline;2-methylidene-1,4-di(propan-2-yl)-3H-indole;2-methylidene-1,5-di(propan-2-yl)-3H-indole;2-methylidene-1,6-di(propan-2-yl)-3H-indole?
The canonical SMILES for 6-tert-butyl-1-propan-2-ylindole;2,5-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;1,5-di(propan-2-yl)-3,4-dihydroquinolin-2-one;1,5-di(propan-2-yl)indole;2-methylidene-1,6-di(propan-2-yl)-3,4-dihydroquinoline;2-methylidene-1,7-di(propan-2-yl)-3,4-dihydroquinoline;2-methylidene-1,4-di(propan-2-yl)-3H-indole;2-methylidene-1,5-di(propan-2-yl)-3H-indole;2-methylidene-1,6-di(propan-2-yl)-3H-indole is C=C1CCc2cc(C(C)C)ccc2N1C(C)C.C=C1CCc2ccc(C(C)C)cc2N1C(C)C.C=C1Cc2c(C(C)C)cccc2N1C(C)C.C=C1Cc2cc(C(C)C)ccc2N1C(C)C.C=C1Cc2ccc(C(C)C)cc2N1C(C)C.CC(C)c1ccc2c(ccn2C(C)C)c1.CC(C)c1cccc2c1CCC(=O)N2C(C)C.CC(C)c1cccc2c1CCN(C(C)C)C2.CC(C)n1ccc2ccc(C(C)(C)C)cc21.
What is the InChIKey of 6-tert-butyl-1-propan-2-ylindole;2,5-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;1,5-di(propan-2-yl)-3,4-dihydroquinolin-2-one;1,5-di(propan-2-yl)indole;2-methylidene-1,6-di(propan-2-yl)-3,4-dihydroquinoline;2-methylidene-1,7-di(propan-2-yl)-3,4-dihydroquinoline;2-methylidene-1,4-di(propan-2-yl)-3H-indole;2-methylidene-1,5-di(propan-2-yl)-3H-indole;2-methylidene-1,6-di(propan-2-yl)-3H-indole?
The InChIKey is AIQSUXCYSGCHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H23N.C15H21NO.4C15H21N.C15H23N.C14H19N/c1-11(2)14-8-9-16-15(10-14)7-6-13(5)17(16)12(3)4;1-11(2)15-9-8-14-7-6-13(5)17(12(3)4)16(14)10-15;1-10(2)12-6-5-7-14-13(12)8-9-15(17)16(14)11(3)4;1-10(2)13-6-7-15-14(9-13)8-12(5)16(15)11(3)4;1-10(2)13-6-7-14-8-12(5)16(11(3)4)15(14)9-13;1-11(2)16-9-8-12-6-7-13(10-14(12)16)15(3,4)5;1-10(2)13-7-6-8-15-14(13)9-12(5)16(15)11(3)4;1-11(2)14-7-5-6-13-10-16(12(3)4)9-8-15(13)14;1-10(2)12-5-6-14-13(9-12)7-8-15(14)11(3)4/h2*8-12H,5-7H2,1-4H3;5-7,10-11H,8-9H2,1-4H3;2*6-7,9-11H,5,8H2,1-4H3;6-11H,1-5H3;6-8,10-11H,5,9H2,1-4H3;5-7,11-12H,8-10H2,1-4H3;5-11H,1-4H3.
What are the key properties of 6-tert-butyl-1-propan-2-ylindole;2,5-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;1,5-di(propan-2-yl)-3,4-dihydroquinolin-2-one;1,5-di(propan-2-yl)indole;2-methylidene-1,6-di(propan-2-yl)-3,4-dihydroquinoline;2-methylidene-1,7-di(propan-2-yl)-3,4-dihydroquinoline;2-methylidene-1,4-di(propan-2-yl)-3H-indole;2-methylidene-1,5-di(propan-2-yl)-3H-indole;2-methylidene-1,6-di(propan-2-yl)-3H-indole?
6-tert-butyl-1-propan-2-ylindole;2,5-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;1,5-di(propan-2-yl)-3,4-dihydroquinolin-2-one;1,5-di(propan-2-yl)indole;2-methylidene-1,6-di(propan-2-yl)-3,4-dihydroquinoline;2-methylidene-1,7-di(propan-2-yl)-3,4-dihydroquinoline;2-methylidene-1,4-di(propan-2-yl)-3H-indole;2-methylidene-1,5-di(propan-2-yl)-3H-indole;2-methylidene-1,6-di(propan-2-yl)-3H-indole has a molecular weight of 1970.10 g/mol, XLogP of 37.19, 17 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1-propan-2-ylindole;2,5-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;1,5-di(propan-2-yl)-3,4-dihydroquinolin-2-one;1,5-di(propan-2-yl)indole;2-methylidene-1,6-di(propan-2-yl)-3,4-dihydroquinoline;2-methylidene-1,7-di(propan-2-yl)-3,4-dihydroquinoline;2-methylidene-1,4-di(propan-2-yl)-3H-indole;2-methylidene-1,5-di(propan-2-yl)-3H-indole;2-methylidene-1,6-di(propan-2-yl)-3H-indole is sourced from PubChem (CID 157127326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).