5-methyl-3-(2-methylbutan-2-yl)-2,3-dihydro-1H-indole

C14H21N — CID 106820145

IUPAC5-methyl-3-(2-methylbutan-2-yl)-2,3-dihydro-1H-indole
SMILESCCC(C)(C)C1CNc2ccc(C)cc21
InChIInChI=1S/C14H21N/c1-5-14(3,4)12-9-15-13-7-6-10(2)8-11(12)13/h6-8,12,15H,5,9H2,1-4H3
InChIKeyMJHJNMVDXHBIBY-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.94
Rot. Bonds2

About 5-methyl-3-(2-methylbutan-2-yl)-2,3-dihydro-1H-indole

5-methyl-3-(2-methylbutan-2-yl)-2,3-dihydro-1H-indole (PubChem CID 106820145) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 5-methyl-3-(2-methylbutan-2-yl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name5-methyl-3-(2-methylbutan-2-yl)-2,3-dihydro-1H-indole
PubChem CID106820145
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name5-methyl-3-(2-methylbutan-2-yl)-2,3-dihydro-1H-indole
SMILESCCC(C)(C)C1CNc2ccc(C)cc21
InChIInChI=1S/C14H21N/c1-5-14(3,4)12-9-15-13-7-6-10(2)8-11(12)13/h6-8,12,15H,5,9H2,1-4H3
InChIKeyMJHJNMVDXHBIBY-UHFFFAOYSA-N
XLogP3.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(2-methylbutan-2-yl)-2,3-dihydro-1H-indole?
The IUPAC name of 5-methyl-3-(2-methylbutan-2-yl)-2,3-dihydro-1H-indole (CID 106820145) is 5-methyl-3-(2-methylbutan-2-yl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 5-methyl-3-(2-methylbutan-2-yl)-2,3-dihydro-1H-indole?
The canonical SMILES for 5-methyl-3-(2-methylbutan-2-yl)-2,3-dihydro-1H-indole is CCC(C)(C)C1CNc2ccc(C)cc21.
What is the InChIKey of 5-methyl-3-(2-methylbutan-2-yl)-2,3-dihydro-1H-indole?
The InChIKey is MJHJNMVDXHBIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-5-14(3,4)12-9-15-13-7-6-10(2)8-11(12)13/h6-8,12,15H,5,9H2,1-4H3.
What are the key properties of 5-methyl-3-(2-methylbutan-2-yl)-2,3-dihydro-1H-indole?
5-methyl-3-(2-methylbutan-2-yl)-2,3-dihydro-1H-indole has a molecular weight of 203.33 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(2-methylbutan-2-yl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 106820145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).