5-methyl-3-octan-2-yl-2,3-dihydro-1H-indole

C17H27N — CID 106820144

IUPAC5-methyl-3-octan-2-yl-2,3-dihydro-1H-indole
SMILESCCCCCCC(C)C1CNc2ccc(C)cc21
InChIInChI=1S/C17H27N/c1-4-5-6-7-8-14(3)16-12-18-17-10-9-13(2)11-15(16)17/h9-11,14,16,18H,4-8,12H2,1-3H3
InChIKeyFQMKCMBIIAMZTE-UHFFFAOYSA-N
MW245.41 g/mol
LogP5.11
Rot. Bonds6

About 5-methyl-3-octan-2-yl-2,3-dihydro-1H-indole

5-methyl-3-octan-2-yl-2,3-dihydro-1H-indole (PubChem CID 106820144) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 5-methyl-3-octan-2-yl-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name5-methyl-3-octan-2-yl-2,3-dihydro-1H-indole
PubChem CID106820144
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name5-methyl-3-octan-2-yl-2,3-dihydro-1H-indole
SMILESCCCCCCC(C)C1CNc2ccc(C)cc21
InChIInChI=1S/C17H27N/c1-4-5-6-7-8-14(3)16-12-18-17-10-9-13(2)11-15(16)17/h9-11,14,16,18H,4-8,12H2,1-3H3
InChIKeyFQMKCMBIIAMZTE-UHFFFAOYSA-N
XLogP5.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500245.41
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-heptan-2-yl-5-methyl-2,3-dihydro-1H-indole
CID 106820137
3-octan-2-yl-2,3-dihydro-1H-indole
CID 106820264
2-(5-methyl-2,3-dihydro-1H-indol-3-yl)propan-1-amine
CID 83860329
3-butyl-5-methyl-2,3-dihydro-1H-indole
CID 106820126
3-butan-2-yl-5-(trifluoromethyl)-2,3-dihydro-1H-indole
CID 106986061
5-methyl-3-(2-methylpropyl)-2,3-dihydro-1H-indole
CID 106820143
9-heptadecan-9-yl-2,7-dimethyl-9H-fluorene
CID 158260955
5-fluoro-3-(4-methylpentan-2-yl)-2,3-dihydro-1H-indole
CID 106985857
5-methyl-3-(2-methylbutan-2-yl)-2,3-dihydro-1H-indole
CID 106820145
N-methyl-1-(5-methyl-2,3-dihydro-1H-indol-3-yl)propan-2-amine
CID 117201839
2-(5-methoxy-2,3-dihydro-1H-indol-3-yl)propan-1-amine
CID 83860328
(2R)-2-[(2R)-octadecan-2-yl]-2,3-dihydro-1H-indole-5-carboxylic acid
CID 24839530

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-octan-2-yl-2,3-dihydro-1H-indole?
The IUPAC name of 5-methyl-3-octan-2-yl-2,3-dihydro-1H-indole (CID 106820144) is 5-methyl-3-octan-2-yl-2,3-dihydro-1H-indole.
What is the SMILES notation for 5-methyl-3-octan-2-yl-2,3-dihydro-1H-indole?
The canonical SMILES for 5-methyl-3-octan-2-yl-2,3-dihydro-1H-indole is CCCCCCC(C)C1CNc2ccc(C)cc21.
What is the InChIKey of 5-methyl-3-octan-2-yl-2,3-dihydro-1H-indole?
The InChIKey is FQMKCMBIIAMZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-4-5-6-7-8-14(3)16-12-18-17-10-9-13(2)11-15(16)17/h9-11,14,16,18H,4-8,12H2,1-3H3.
What are the key properties of 5-methyl-3-octan-2-yl-2,3-dihydro-1H-indole?
5-methyl-3-octan-2-yl-2,3-dihydro-1H-indole has a molecular weight of 245.41 g/mol, XLogP of 5.11, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-octan-2-yl-2,3-dihydro-1H-indole is sourced from PubChem (CID 106820144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).