2-nonan-2-yl-4,5,6,7-tetrahydro-1H-indole

C17H29N — CID 173178536

IUPAC2-nonan-2-yl-4,5,6,7-tetrahydro-1H-indole
SMILESCCCCCCCC(C)c1cc2c([nH]1)CCCC2
InChIInChI=1S/C17H29N/c1-3-4-5-6-7-10-14(2)17-13-15-11-8-9-12-16(15)18-17/h13-14,18H,3-12H2,1-2H3
InChIKeyIFTKDTUDEWMQAS-UHFFFAOYSA-N
MW247.43 g/mol
LogP5.36
Rot. Bonds7

About 2-nonan-2-yl-4,5,6,7-tetrahydro-1H-indole

2-nonan-2-yl-4,5,6,7-tetrahydro-1H-indole (PubChem CID 173178536) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is 2-nonan-2-yl-4,5,6,7-tetrahydro-1H-indole.

Molecular Properties

Compound Name2-nonan-2-yl-4,5,6,7-tetrahydro-1H-indole
PubChem CID173178536
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Name2-nonan-2-yl-4,5,6,7-tetrahydro-1H-indole
SMILESCCCCCCCC(C)c1cc2c([nH]1)CCCC2
InChIInChI=1S/C17H29N/c1-3-4-5-6-7-10-14(2)17-13-15-11-8-9-12-16(15)18-17/h13-14,18H,3-12H2,1-2H3
InChIKeyIFTKDTUDEWMQAS-UHFFFAOYSA-N
XLogP5.36
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500247.43
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-nonan-2-yl-4,5,6,7-tetrahydro-1H-indole?
The IUPAC name of 2-nonan-2-yl-4,5,6,7-tetrahydro-1H-indole (CID 173178536) is 2-nonan-2-yl-4,5,6,7-tetrahydro-1H-indole.
What is the SMILES notation for 2-nonan-2-yl-4,5,6,7-tetrahydro-1H-indole?
The canonical SMILES for 2-nonan-2-yl-4,5,6,7-tetrahydro-1H-indole is CCCCCCCC(C)c1cc2c([nH]1)CCCC2.
What is the InChIKey of 2-nonan-2-yl-4,5,6,7-tetrahydro-1H-indole?
The InChIKey is IFTKDTUDEWMQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-3-4-5-6-7-10-14(2)17-13-15-11-8-9-12-16(15)18-17/h13-14,18H,3-12H2,1-2H3.
What are the key properties of 2-nonan-2-yl-4,5,6,7-tetrahydro-1H-indole?
2-nonan-2-yl-4,5,6,7-tetrahydro-1H-indole has a molecular weight of 247.43 g/mol, XLogP of 5.36, 7 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nonan-2-yl-4,5,6,7-tetrahydro-1H-indole is sourced from PubChem (CID 173178536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).