2-methyl-3-(2-methylpropyl)-5-propan-2-yl-1H-indole

C16H23N — CID 102497800

IUPAC2-methyl-3-(2-methylpropyl)-5-propan-2-yl-1H-indole
SMILESCc1[nH]c2ccc(C(C)C)cc2c1CC(C)C
InChIInChI=1S/C16H23N/c1-10(2)8-14-12(5)17-16-7-6-13(11(3)4)9-15(14)16/h6-7,9-11,17H,8H2,1-5H3
InChIKeyYMMCMEHMPOSJSF-UHFFFAOYSA-N
MW229.37 g/mol
LogP4.80
Rot. Bonds3

About 2-methyl-3-(2-methylpropyl)-5-propan-2-yl-1H-indole

2-methyl-3-(2-methylpropyl)-5-propan-2-yl-1H-indole (PubChem CID 102497800) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is 2-methyl-3-(2-methylpropyl)-5-propan-2-yl-1H-indole.

Molecular Properties

Compound Name2-methyl-3-(2-methylpropyl)-5-propan-2-yl-1H-indole
PubChem CID102497800
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name2-methyl-3-(2-methylpropyl)-5-propan-2-yl-1H-indole
SMILESCc1[nH]c2ccc(C(C)C)cc2c1CC(C)C
InChIInChI=1S/C16H23N/c1-10(2)8-14-12(5)17-16-7-6-13(11(3)4)9-15(14)16/h6-7,9-11,17H,8H2,1-5H3
InChIKeyYMMCMEHMPOSJSF-UHFFFAOYSA-N
XLogP4.80
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-methylpropyl)-5-propan-2-yl-1H-indole?
The IUPAC name of 2-methyl-3-(2-methylpropyl)-5-propan-2-yl-1H-indole (CID 102497800) is 2-methyl-3-(2-methylpropyl)-5-propan-2-yl-1H-indole.
What is the SMILES notation for 2-methyl-3-(2-methylpropyl)-5-propan-2-yl-1H-indole?
The canonical SMILES for 2-methyl-3-(2-methylpropyl)-5-propan-2-yl-1H-indole is Cc1[nH]c2ccc(C(C)C)cc2c1CC(C)C.
What is the InChIKey of 2-methyl-3-(2-methylpropyl)-5-propan-2-yl-1H-indole?
The InChIKey is YMMCMEHMPOSJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-10(2)8-14-12(5)17-16-7-6-13(11(3)4)9-15(14)16/h6-7,9-11,17H,8H2,1-5H3.
What are the key properties of 2-methyl-3-(2-methylpropyl)-5-propan-2-yl-1H-indole?
2-methyl-3-(2-methylpropyl)-5-propan-2-yl-1H-indole has a molecular weight of 229.37 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-methylpropyl)-5-propan-2-yl-1H-indole is sourced from PubChem (CID 102497800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).