1-(2-methylbutan-2-yl)-5-(2-methylhexan-2-yl)indole

C20H31N — CID 154980919

IUPAC1-(2-methylbutan-2-yl)-5-(2-methylhexan-2-yl)indole
SMILESCCCCC(C)(C)c1ccc2c(ccn2C(C)(C)CC)c1
InChIInChI=1S/C20H31N/c1-7-9-13-19(3,4)17-10-11-18-16(15-17)12-14-21(18)20(5,6)8-2/h10-12,14-15H,7-9,13H2,1-6H3
InChIKeyAIJLNPHWPWBUQR-UHFFFAOYSA-N
MW285.48 g/mol
LogP6.25
Rot. Bonds6

About 1-(2-methylbutan-2-yl)-5-(2-methylhexan-2-yl)indole

1-(2-methylbutan-2-yl)-5-(2-methylhexan-2-yl)indole (PubChem CID 154980919) has the molecular formula C20H31N and a molecular weight of 285.48 g/mol. Its IUPAC name is 1-(2-methylbutan-2-yl)-5-(2-methylhexan-2-yl)indole.

Molecular Properties

Compound Name1-(2-methylbutan-2-yl)-5-(2-methylhexan-2-yl)indole
PubChem CID154980919
Molecular FormulaC20H31N
Molecular Weight285.48 g/mol
Exact Mass285.25
IUPAC Name1-(2-methylbutan-2-yl)-5-(2-methylhexan-2-yl)indole
SMILESCCCCC(C)(C)c1ccc2c(ccn2C(C)(C)CC)c1
InChIInChI=1S/C20H31N/c1-7-9-13-19(3,4)17-10-11-18-16(15-17)12-14-21(18)20(5,6)8-2/h10-12,14-15H,7-9,13H2,1-6H3
InChIKeyAIJLNPHWPWBUQR-UHFFFAOYSA-N
XLogP6.25
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.48
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-tert-butyl-5-[5-(5-tert-butylindol-1-yl)-2,5-dimethylhexan-2-yl]indazole
CID 155014010
9-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-3,6-bis(2-methylhexan-2-yl)carbazole
CID 58518448
2,5-bis(2-methylheptan-2-yl)phenol
CID 87703895
2-methyl-2-(1-methylindol-5-yl)propan-1-ol
CID 117291936
1-(2-methylbutan-2-yl)pyrrolo[2,3-c]pyridine
CID 167151108
1-methyl-5-[(E,3S)-3-methyl-1-phenylhept-1-en-3-yl]indole
CID 134962129
9-(2-ethylhexyl)-3-(2-methylbutan-2-yl)-6-(2-methylpentan-2-yl)carbazole
CID 134388506
1,2-difluoro-4-(2-methyloctan-2-yl)benzene
CID 146181426
10-[3,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-3,7-bis(2-methylhexan-2-yl)phenoxazine
CID 145332600
2-(2-methylbutan-2-yl)-6-(2-methyloctan-2-yl)quinoxaline
CID 134415208
1-ethyl-4-(2-methylheptan-2-yl)benzene
CID 54310984
3-chloro-6-(2-methylhexan-2-yl)-2-(3-methylnonan-3-yl)quinoxaline
CID 134415262

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylbutan-2-yl)-5-(2-methylhexan-2-yl)indole?
The IUPAC name of 1-(2-methylbutan-2-yl)-5-(2-methylhexan-2-yl)indole (CID 154980919) is 1-(2-methylbutan-2-yl)-5-(2-methylhexan-2-yl)indole.
What is the SMILES notation for 1-(2-methylbutan-2-yl)-5-(2-methylhexan-2-yl)indole?
The canonical SMILES for 1-(2-methylbutan-2-yl)-5-(2-methylhexan-2-yl)indole is CCCCC(C)(C)c1ccc2c(ccn2C(C)(C)CC)c1.
What is the InChIKey of 1-(2-methylbutan-2-yl)-5-(2-methylhexan-2-yl)indole?
The InChIKey is AIJLNPHWPWBUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N/c1-7-9-13-19(3,4)17-10-11-18-16(15-17)12-14-21(18)20(5,6)8-2/h10-12,14-15H,7-9,13H2,1-6H3.
What are the key properties of 1-(2-methylbutan-2-yl)-5-(2-methylhexan-2-yl)indole?
1-(2-methylbutan-2-yl)-5-(2-methylhexan-2-yl)indole has a molecular weight of 285.48 g/mol, XLogP of 6.25, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbutan-2-yl)-5-(2-methylhexan-2-yl)indole is sourced from PubChem (CID 154980919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).