3-butan-2-yl-6-(2-methylbutan-2-yl)-2,3-dihydro-1H-indole

C17H27N — CID 71158916

IUPAC3-butan-2-yl-6-(2-methylbutan-2-yl)-2,3-dihydro-1H-indole
SMILESCCC(C)C1CNc2cc(C(C)(C)CC)ccc21
InChIInChI=1S/C17H27N/c1-6-12(3)15-11-18-16-10-13(8-9-14(15)16)17(4,5)7-2/h8-10,12,15,18H,6-7,11H2,1-5H3
InChIKeyNRELDSGERNRZRN-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.93
Rot. Bonds4

About 3-butan-2-yl-6-(2-methylbutan-2-yl)-2,3-dihydro-1H-indole

3-butan-2-yl-6-(2-methylbutan-2-yl)-2,3-dihydro-1H-indole (PubChem CID 71158916) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 3-butan-2-yl-6-(2-methylbutan-2-yl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name3-butan-2-yl-6-(2-methylbutan-2-yl)-2,3-dihydro-1H-indole
PubChem CID71158916
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name3-butan-2-yl-6-(2-methylbutan-2-yl)-2,3-dihydro-1H-indole
SMILESCCC(C)C1CNc2cc(C(C)(C)CC)ccc21
InChIInChI=1S/C17H27N/c1-6-12(3)15-11-18-16-10-13(8-9-14(15)16)17(4,5)7-2/h8-10,12,15,18H,6-7,11H2,1-5H3
InChIKeyNRELDSGERNRZRN-UHFFFAOYSA-N
XLogP4.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-6-(2-methylbutan-2-yl)-2,3-dihydro-1H-indole?
The IUPAC name of 3-butan-2-yl-6-(2-methylbutan-2-yl)-2,3-dihydro-1H-indole (CID 71158916) is 3-butan-2-yl-6-(2-methylbutan-2-yl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 3-butan-2-yl-6-(2-methylbutan-2-yl)-2,3-dihydro-1H-indole?
The canonical SMILES for 3-butan-2-yl-6-(2-methylbutan-2-yl)-2,3-dihydro-1H-indole is CCC(C)C1CNc2cc(C(C)(C)CC)ccc21.
What is the InChIKey of 3-butan-2-yl-6-(2-methylbutan-2-yl)-2,3-dihydro-1H-indole?
The InChIKey is NRELDSGERNRZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-6-12(3)15-11-18-16-10-13(8-9-14(15)16)17(4,5)7-2/h8-10,12,15,18H,6-7,11H2,1-5H3.
What are the key properties of 3-butan-2-yl-6-(2-methylbutan-2-yl)-2,3-dihydro-1H-indole?
3-butan-2-yl-6-(2-methylbutan-2-yl)-2,3-dihydro-1H-indole has a molecular weight of 245.41 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-6-(2-methylbutan-2-yl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 71158916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).