methane;1-methyl-3-(2-methylpropyl)indole;1-methyl-2-propan-2-ylindole;1-methyl-3-propan-2-ylindole;1-methyl-5-propan-2-ylindole;2-propan-2-yl-1-benzothiophene;5-propan-2-yl-1H-indazole;6-propan-2-ylquinoxaline

C82H102N8S — CID 160535195

IUPACmethane;1-methyl-3-(2-methylpropyl)indole;1-methyl-2-propan-2-ylindole;1-methyl-3-propan-2-ylindole;1-methyl-5-propan-2-ylindole;2-propan-2-yl-1-benzothiophene;5-propan-2-yl-1H-indazole;6-propan-2-ylquinoxaline
SMILESC.CC(C)Cc1cn(C)c2ccccc12.CC(C)c1cc2ccccc2n1C.CC(C)c1cc2ccccc2s1.CC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2c(ccn2C)c1.CC(C)c1ccc2nccnc2c1.CC(C)c1cn(C)c2ccccc12
InChIInChI=1S/C13H17N.3C12H15N.C11H12N2.C11H12S.C10H12N2.CH4/c1-10(2)8-11-9-14(3)13-7-5-4-6-12(11)13;1-9(2)10-4-5-12-11(8-10)6-7-13(12)3;1-9(2)11-8-13(3)12-7-5-4-6-10(11)12;1-9(2)12-8-10-6-4-5-7-11(10)13(12)3;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-7(2)8-3-4-10-9(5-8)6-11-12-10;/h4-7,9-10H,8H2,1-3H3;3*4-9H,1-3H3;3-8H,1-2H3;3-8H,1-2H3;3-7H,1-2H3,(H,11,12);1H4
InChIKeyQWBHADZDHNQFFK-UHFFFAOYSA-N
MW1231.84 g/mol
LogP23.38
Rot. Bonds8

About methane;1-methyl-3-(2-methylpropyl)indole;1-methyl-2-propan-2-ylindole;1-methyl-3-propan-2-ylindole;1-methyl-5-propan-2-ylindole;2-propan-2-yl-1-benzothiophene;5-propan-2-yl-1H-indazole;6-propan-2-ylquinoxaline

methane;1-methyl-3-(2-methylpropyl)indole;1-methyl-2-propan-2-ylindole;1-methyl-3-propan-2-ylindole;1-methyl-5-propan-2-ylindole;2-propan-2-yl-1-benzothiophene;5-propan-2-yl-1H-indazole;6-propan-2-ylquinoxaline (PubChem CID 160535195) has the molecular formula C82H102N8S and a molecular weight of 1231.84 g/mol. Its IUPAC name is methane;1-methyl-3-(2-methylpropyl)indole;1-methyl-2-propan-2-ylindole;1-methyl-3-propan-2-ylindole;1-methyl-5-propan-2-ylindole;2-propan-2-yl-1-benzothiophene;5-propan-2-yl-1H-indazole;6-propan-2-ylquinoxaline.

Molecular Properties

Compound Namemethane;1-methyl-3-(2-methylpropyl)indole;1-methyl-2-propan-2-ylindole;1-methyl-3-propan-2-ylindole;1-methyl-5-propan-2-ylindole;2-propan-2-yl-1-benzothiophene;5-propan-2-yl-1H-indazole;6-propan-2-ylquinoxaline
PubChem CID160535195
Molecular FormulaC82H102N8S
Molecular Weight1231.84 g/mol
Exact Mass1230.79
IUPAC Namemethane;1-methyl-3-(2-methylpropyl)indole;1-methyl-2-propan-2-ylindole;1-methyl-3-propan-2-ylindole;1-methyl-5-propan-2-ylindole;2-propan-2-yl-1-benzothiophene;5-propan-2-yl-1H-indazole;6-propan-2-ylquinoxaline
SMILESC.CC(C)Cc1cn(C)c2ccccc12.CC(C)c1cc2ccccc2n1C.CC(C)c1cc2ccccc2s1.CC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2c(ccn2C)c1.CC(C)c1ccc2nccnc2c1.CC(C)c1cn(C)c2ccccc12
InChIInChI=1S/C13H17N.3C12H15N.C11H12N2.C11H12S.C10H12N2.CH4/c1-10(2)8-11-9-14(3)13-7-5-4-6-12(11)13;1-9(2)10-4-5-12-11(8-10)6-7-13(12)3;1-9(2)11-8-13(3)12-7-5-4-6-10(11)12;1-9(2)12-8-10-6-4-5-7-11(10)13(12)3;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-7(2)8-3-4-10-9(5-8)6-11-12-10;/h4-7,9-10H,8H2,1-3H3;3*4-9H,1-3H3;3-8H,1-2H3;3-8H,1-2H3;3-7H,1-2H3,(H,11,12);1H4
InChIKeyQWBHADZDHNQFFK-UHFFFAOYSA-N
XLogP23.38
TPSA74.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms91
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001231.84
LogP ≤ 523.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methane;1-methyl-3-(2-methylpropyl)indole;1-methyl-2-propan-2-ylindole;1-methyl-3-propan-2-ylindole;1-methyl-5-propan-2-ylindole;2-propan-2-yl-1-benzothiophene;5-propan-2-yl-1H-indazole;6-propan-2-ylquinoxaline with MolForge

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Launch Full Analysis

Related Compounds

1-methyl-3-propan-2-ylindole
CID 10942942
4-ethyl-2-propan-2-ylpyridine;methane;1-methyl-5-propan-2-ylindole;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;6-propan-2-ylquinoxaline
CID 160882298
(1-methylindol-3-yl)-naphthalen-2-ylmethanamine
CID 101394090
1-benzothiophen-2-yl-[4-(2-methylpropyl)phenyl]methanol
CID 63427924
1-methylindole;bis(triethyl-(1-methylindol-2-yl)silane)
CID 159581011
5-[5-(3-benzylphenyl)hexan-2-yl]-1-methylindole
CID 155480882
3-[2,6-bis(2-methylpropyl)phenyl]-12-propan-2-ylimidazo[1,2-f]phenanthridine;ethane
CID 145008568
3-[2-(4-iodophenyl)-2-phenylethyl]-1-methylindole
CID 132532130
5-butan-2-yl-1-methylindole;ethane
CID 143601269
7-propan-2-yl-2-(2-quinolin-6-ylpropyl)quinoxaline
CID 155582284
1-methyl-3-(4-methylpentan-2-yl)indole
CID 129132134
2-[bromo-(4-propan-2-ylphenyl)methyl]-1-benzothiophene
CID 63443757

Frequently Asked Questions

What is the IUPAC name of methane;1-methyl-3-(2-methylpropyl)indole;1-methyl-2-propan-2-ylindole;1-methyl-3-propan-2-ylindole;1-methyl-5-propan-2-ylindole;2-propan-2-yl-1-benzothiophene;5-propan-2-yl-1H-indazole;6-propan-2-ylquinoxaline?
The IUPAC name of methane;1-methyl-3-(2-methylpropyl)indole;1-methyl-2-propan-2-ylindole;1-methyl-3-propan-2-ylindole;1-methyl-5-propan-2-ylindole;2-propan-2-yl-1-benzothiophene;5-propan-2-yl-1H-indazole;6-propan-2-ylquinoxaline (CID 160535195) is methane;1-methyl-3-(2-methylpropyl)indole;1-methyl-2-propan-2-ylindole;1-methyl-3-propan-2-ylindole;1-methyl-5-propan-2-ylindole;2-propan-2-yl-1-benzothiophene;5-propan-2-yl-1H-indazole;6-propan-2-ylquinoxaline.
What is the SMILES notation for methane;1-methyl-3-(2-methylpropyl)indole;1-methyl-2-propan-2-ylindole;1-methyl-3-propan-2-ylindole;1-methyl-5-propan-2-ylindole;2-propan-2-yl-1-benzothiophene;5-propan-2-yl-1H-indazole;6-propan-2-ylquinoxaline?
The canonical SMILES for methane;1-methyl-3-(2-methylpropyl)indole;1-methyl-2-propan-2-ylindole;1-methyl-3-propan-2-ylindole;1-methyl-5-propan-2-ylindole;2-propan-2-yl-1-benzothiophene;5-propan-2-yl-1H-indazole;6-propan-2-ylquinoxaline is C.CC(C)Cc1cn(C)c2ccccc12.CC(C)c1cc2ccccc2n1C.CC(C)c1cc2ccccc2s1.CC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2c(ccn2C)c1.CC(C)c1ccc2nccnc2c1.CC(C)c1cn(C)c2ccccc12.
What is the InChIKey of methane;1-methyl-3-(2-methylpropyl)indole;1-methyl-2-propan-2-ylindole;1-methyl-3-propan-2-ylindole;1-methyl-5-propan-2-ylindole;2-propan-2-yl-1-benzothiophene;5-propan-2-yl-1H-indazole;6-propan-2-ylquinoxaline?
The InChIKey is QWBHADZDHNQFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N.3C12H15N.C11H12N2.C11H12S.C10H12N2.CH4/c1-10(2)8-11-9-14(3)13-7-5-4-6-12(11)13;1-9(2)10-4-5-12-11(8-10)6-7-13(12)3;1-9(2)11-8-13(3)12-7-5-4-6-10(11)12;1-9(2)12-8-10-6-4-5-7-11(10)13(12)3;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-7(2)8-3-4-10-9(5-8)6-11-12-10;/h4-7,9-10H,8H2,1-3H3;3*4-9H,1-3H3;3-8H,1-2H3;3-8H,1-2H3;3-7H,1-2H3,(H,11,12);1H4.
What are the key properties of methane;1-methyl-3-(2-methylpropyl)indole;1-methyl-2-propan-2-ylindole;1-methyl-3-propan-2-ylindole;1-methyl-5-propan-2-ylindole;2-propan-2-yl-1-benzothiophene;5-propan-2-yl-1H-indazole;6-propan-2-ylquinoxaline?
methane;1-methyl-3-(2-methylpropyl)indole;1-methyl-2-propan-2-ylindole;1-methyl-3-propan-2-ylindole;1-methyl-5-propan-2-ylindole;2-propan-2-yl-1-benzothiophene;5-propan-2-yl-1H-indazole;6-propan-2-ylquinoxaline has a molecular weight of 1231.84 g/mol, XLogP of 23.38, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-methyl-3-(2-methylpropyl)indole;1-methyl-2-propan-2-ylindole;1-methyl-3-propan-2-ylindole;1-methyl-5-propan-2-ylindole;2-propan-2-yl-1-benzothiophene;5-propan-2-yl-1H-indazole;6-propan-2-ylquinoxaline is sourced from PubChem (CID 160535195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).