5-butan-2-yl-1-methylindole;5-tert-butyl-1-methylindole;ethane;5-ethyl-1-methylindole;1-methyl-5-propan-2-ylindole;1-methyl-5-propylindole

C71H107N5 — CID 159968183

IUPAC5-butan-2-yl-1-methylindole;5-tert-butyl-1-methylindole;ethane;5-ethyl-1-methylindole;1-methyl-5-propan-2-ylindole;1-methyl-5-propylindole
SMILESCC.CC.CC.CC.CC.CC(C)c1ccc2c(ccn2C)c1.CCC(C)c1ccc2c(ccn2C)c1.CCCc1ccc2c(ccn2C)c1.CCc1ccc2c(ccn2C)c1.Cn1ccc2cc(C(C)(C)C)ccc21
InChIInChI=1S/2C13H17N.2C12H15N.C11H13N.5C2H6/c1-13(2,3)11-5-6-12-10(9-11)7-8-14(12)4;1-4-10(2)11-5-6-13-12(9-11)7-8-14(13)3;1-9(2)10-4-5-12-11(8-10)6-7-13(12)3;1-3-4-10-5-6-12-11(9-10)7-8-13(12)2;1-3-9-4-5-11-10(8-9)6-7-12(11)2;5*1-2/h5-9H,1-4H3;5-10H,4H2,1-3H3;4-9H,1-3H3;5-9H,3-4H2,1-2H3;4-8H,3H2,1-2H3;5*1-2H3
InChIKeyOEEZQYPVXXCLQR-UHFFFAOYSA-N
MW1030.67 g/mol
LogP21.47
Rot. Bonds6

About 5-butan-2-yl-1-methylindole;5-tert-butyl-1-methylindole;ethane;5-ethyl-1-methylindole;1-methyl-5-propan-2-ylindole;1-methyl-5-propylindole

5-butan-2-yl-1-methylindole;5-tert-butyl-1-methylindole;ethane;5-ethyl-1-methylindole;1-methyl-5-propan-2-ylindole;1-methyl-5-propylindole (PubChem CID 159968183) has the molecular formula C71H107N5 and a molecular weight of 1030.67 g/mol. Its IUPAC name is 5-butan-2-yl-1-methylindole;5-tert-butyl-1-methylindole;ethane;5-ethyl-1-methylindole;1-methyl-5-propan-2-ylindole;1-methyl-5-propylindole.

Molecular Properties

Compound Name5-butan-2-yl-1-methylindole;5-tert-butyl-1-methylindole;ethane;5-ethyl-1-methylindole;1-methyl-5-propan-2-ylindole;1-methyl-5-propylindole
PubChem CID159968183
Molecular FormulaC71H107N5
Molecular Weight1030.67 g/mol
Exact Mass1029.85
IUPAC Name5-butan-2-yl-1-methylindole;5-tert-butyl-1-methylindole;ethane;5-ethyl-1-methylindole;1-methyl-5-propan-2-ylindole;1-methyl-5-propylindole
SMILESCC.CC.CC.CC.CC.CC(C)c1ccc2c(ccn2C)c1.CCC(C)c1ccc2c(ccn2C)c1.CCCc1ccc2c(ccn2C)c1.CCc1ccc2c(ccn2C)c1.Cn1ccc2cc(C(C)(C)C)ccc21
InChIInChI=1S/2C13H17N.2C12H15N.C11H13N.5C2H6/c1-13(2,3)11-5-6-12-10(9-11)7-8-14(12)4;1-4-10(2)11-5-6-13-12(9-11)7-8-14(13)3;1-9(2)10-4-5-12-11(8-10)6-7-13(12)3;1-3-4-10-5-6-12-11(9-10)7-8-13(12)2;1-3-9-4-5-11-10(8-9)6-7-12(11)2;5*1-2/h5-9H,1-4H3;5-10H,4H2,1-3H3;4-9H,1-3H3;5-9H,3-4H2,1-2H3;4-8H,3H2,1-2H3;5*1-2H3
InChIKeyOEEZQYPVXXCLQR-UHFFFAOYSA-N
XLogP21.47
TPSA24.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001030.67
LogP ≤ 521.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-butan-2-yl-1-methylindole;ethane
CID 143601269
5-tert-butyl-1H-indole;ethane;5-ethyl-1H-indole;1H-indole;5-methyl-1H-indole;5-propan-2-yl-1H-indole;5-propyl-1H-indole
CID 160757236
1-[(4-tert-butylphenyl)methyl]-5-ethylindole
CID 110831210
1-butan-2-yl-4-methylbenzene;1-tert-butyl-4-methylbenzene;ethane;1-ethyl-4-methylbenzene;1-methyl-4-(2-methylpropyl)benzene;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propylbenzene;1,4-xylene
CID 157322735
2-[4-[2-[2-[4-[3,6-di(butan-2-yl)carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole;2-[4-[2-[2-[4-(3,6-dibutylcarbazol-9-yl)phenyl]phenyl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole;2-[4-[2-[2-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenyl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole;2-[4-[2-[2-[4-(3,6-diethylcarbazol-9-yl)phenyl]phenyl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole;2-[4-[2-[2-[4-[3,6-di(propan-2-yl)carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole;2-[4-[2-[2-[4-(3,6-dipropylcarbazol-9-yl)phenyl]phenyl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole
CID 161304769
5-butan-2-yl-1-propan-2-ylindole
CID 135200251
2-methyl-2-(1-methylindol-5-yl)propan-1-ol
CID 117291936
1-[2-(4-tert-butylphenoxy)ethyl]-5-ethylindole
CID 110831226
1-(1-methylindol-5-yl)ethanol
CID 83387761
5-[5-(3-benzylphenyl)hexan-2-yl]-1-methylindole
CID 155480882
2-N-[2-(1-methylindol-5-yl)propan-2-yl]propane-1,2-diamine
CID 123605068
2-butan-2-yl-7-(2-methylbutan-2-yl)phenanthrene
CID 143619990

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-1-methylindole;5-tert-butyl-1-methylindole;ethane;5-ethyl-1-methylindole;1-methyl-5-propan-2-ylindole;1-methyl-5-propylindole?
The IUPAC name of 5-butan-2-yl-1-methylindole;5-tert-butyl-1-methylindole;ethane;5-ethyl-1-methylindole;1-methyl-5-propan-2-ylindole;1-methyl-5-propylindole (CID 159968183) is 5-butan-2-yl-1-methylindole;5-tert-butyl-1-methylindole;ethane;5-ethyl-1-methylindole;1-methyl-5-propan-2-ylindole;1-methyl-5-propylindole.
What is the SMILES notation for 5-butan-2-yl-1-methylindole;5-tert-butyl-1-methylindole;ethane;5-ethyl-1-methylindole;1-methyl-5-propan-2-ylindole;1-methyl-5-propylindole?
The canonical SMILES for 5-butan-2-yl-1-methylindole;5-tert-butyl-1-methylindole;ethane;5-ethyl-1-methylindole;1-methyl-5-propan-2-ylindole;1-methyl-5-propylindole is CC.CC.CC.CC.CC.CC(C)c1ccc2c(ccn2C)c1.CCC(C)c1ccc2c(ccn2C)c1.CCCc1ccc2c(ccn2C)c1.CCc1ccc2c(ccn2C)c1.Cn1ccc2cc(C(C)(C)C)ccc21.
What is the InChIKey of 5-butan-2-yl-1-methylindole;5-tert-butyl-1-methylindole;ethane;5-ethyl-1-methylindole;1-methyl-5-propan-2-ylindole;1-methyl-5-propylindole?
The InChIKey is OEEZQYPVXXCLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H17N.2C12H15N.C11H13N.5C2H6/c1-13(2,3)11-5-6-12-10(9-11)7-8-14(12)4;1-4-10(2)11-5-6-13-12(9-11)7-8-14(13)3;1-9(2)10-4-5-12-11(8-10)6-7-13(12)3;1-3-4-10-5-6-12-11(9-10)7-8-13(12)2;1-3-9-4-5-11-10(8-9)6-7-12(11)2;5*1-2/h5-9H,1-4H3;5-10H,4H2,1-3H3;4-9H,1-3H3;5-9H,3-4H2,1-2H3;4-8H,3H2,1-2H3;5*1-2H3.
What are the key properties of 5-butan-2-yl-1-methylindole;5-tert-butyl-1-methylindole;ethane;5-ethyl-1-methylindole;1-methyl-5-propan-2-ylindole;1-methyl-5-propylindole?
5-butan-2-yl-1-methylindole;5-tert-butyl-1-methylindole;ethane;5-ethyl-1-methylindole;1-methyl-5-propan-2-ylindole;1-methyl-5-propylindole has a molecular weight of 1030.67 g/mol, XLogP of 21.47, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-1-methylindole;5-tert-butyl-1-methylindole;ethane;5-ethyl-1-methylindole;1-methyl-5-propan-2-ylindole;1-methyl-5-propylindole is sourced from PubChem (CID 159968183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).