3-(4-tert-butylcyclohexyl)-2,3-dihydro-1H-indole

C18H27N — CID 106820253

IUPAC3-(4-tert-butylcyclohexyl)-2,3-dihydro-1H-indole
SMILESCC(C)(C)C1CCC(C2CNc3ccccc32)CC1
InChIInChI=1S/C18H27N/c1-18(2,3)14-10-8-13(9-11-14)16-12-19-17-7-5-4-6-15(16)17/h4-7,13-14,16,19H,8-12H2,1-3H3
InChIKeyMZOXTJLLWJKWMQ-UHFFFAOYSA-N
MW257.42 g/mol
LogP5.05
Rot. Bonds1

About 3-(4-tert-butylcyclohexyl)-2,3-dihydro-1H-indole

3-(4-tert-butylcyclohexyl)-2,3-dihydro-1H-indole (PubChem CID 106820253) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is 3-(4-tert-butylcyclohexyl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name3-(4-tert-butylcyclohexyl)-2,3-dihydro-1H-indole
PubChem CID106820253
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC Name3-(4-tert-butylcyclohexyl)-2,3-dihydro-1H-indole
SMILESCC(C)(C)C1CCC(C2CNc3ccccc32)CC1
InChIInChI=1S/C18H27N/c1-18(2,3)14-10-8-13(9-11-14)16-12-19-17-7-5-4-6-15(16)17/h4-7,13-14,16,19H,8-12H2,1-3H3
InChIKeyMZOXTJLLWJKWMQ-UHFFFAOYSA-N
XLogP5.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500257.42
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-(2,3-dihydro-1H-indol-3-yl)piperidin-1-yl]ethanone
CID 14931742
(6aR,10aS)-5,6,6a,7,8,9,10,10a-octahydrophenanthridine
CID 100962245
3-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2,3-dihydro-1H-indole
CID 80574620
3-cyclopropyl-5-methyl-2,3-dihydro-1H-indole
CID 106985758
3-(2-methylcyclopentyl)-2,3-dihydro-1H-indole
CID 106820245
7-bromo-3-(4-tert-butylcyclohexyl)-5-fluoro-2,3-dihydro-1H-indole
CID 106986130
3-(3,3,5-trimethylcyclohexyl)-2,3-dihydro-1H-indole
CID 106820266
3-[1-[2-(2-ethoxyethoxy)ethyl]piperidin-4-yl]-2,3-dihydro-1H-indole
CID 141196849
4-cyclobutyl-1,2,3,4-tetrahydroquinoline
CID 82405278
6-tert-butyl-3-(1-methylpiperidin-4-yl)-2,3-dihydro-1H-indole
CID 112710647
(1R,2S,11S,12S)-9,13-diazapentacyclo[10.7.1.02,11.03,8.014,19]icosa-3,5,7,14,16,18-hexaene
CID 102272217
(3R)-2,3-dihydro-1H-indol-3-ol
CID 67667878

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylcyclohexyl)-2,3-dihydro-1H-indole?
The IUPAC name of 3-(4-tert-butylcyclohexyl)-2,3-dihydro-1H-indole (CID 106820253) is 3-(4-tert-butylcyclohexyl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 3-(4-tert-butylcyclohexyl)-2,3-dihydro-1H-indole?
The canonical SMILES for 3-(4-tert-butylcyclohexyl)-2,3-dihydro-1H-indole is CC(C)(C)C1CCC(C2CNc3ccccc32)CC1.
What is the InChIKey of 3-(4-tert-butylcyclohexyl)-2,3-dihydro-1H-indole?
The InChIKey is MZOXTJLLWJKWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N/c1-18(2,3)14-10-8-13(9-11-14)16-12-19-17-7-5-4-6-15(16)17/h4-7,13-14,16,19H,8-12H2,1-3H3.
What are the key properties of 3-(4-tert-butylcyclohexyl)-2,3-dihydro-1H-indole?
3-(4-tert-butylcyclohexyl)-2,3-dihydro-1H-indole has a molecular weight of 257.42 g/mol, XLogP of 5.05, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylcyclohexyl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 106820253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).