2-nonyl-2,3-dihydro-1H-indole

C17H27N — CID 65041926

IUPAC2-nonyl-2,3-dihydro-1H-indole
SMILESCCCCCCCCCC1Cc2ccccc2N1
InChIInChI=1S/C17H27N/c1-2-3-4-5-6-7-8-12-16-14-15-11-9-10-13-17(15)18-16/h9-11,13,16,18H,2-8,12,14H2,1H3
InChIKeyWRNDXLPQIOGTDI-UHFFFAOYSA-N
MW245.41 g/mol
LogP5.16
Rot. Bonds8

About 2-nonyl-2,3-dihydro-1H-indole

2-nonyl-2,3-dihydro-1H-indole (PubChem CID 65041926) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 2-nonyl-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name2-nonyl-2,3-dihydro-1H-indole
PubChem CID65041926
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name2-nonyl-2,3-dihydro-1H-indole
SMILESCCCCCCCCCC1Cc2ccccc2N1
InChIInChI=1S/C17H27N/c1-2-3-4-5-6-7-8-12-16-14-15-11-9-10-13-17(15)18-16/h9-11,13,16,18H,2-8,12,14H2,1H3
InChIKeyWRNDXLPQIOGTDI-UHFFFAOYSA-N
XLogP5.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500245.41
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-nonyl-2,3-dihydro-1H-indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-pentyl-1,2,3,4-tetrahydroquinoline
CID 15606332
2-undecyl-2,3-dihydro-1H-benzo[de]quinoline
CID 57090472
N-(2,3-dihydro-1H-indol-2-ylmethyl)octan-1-amine
CID 115568741
2-hexyl-3-methyl-1,2,3,4-tetrahydroquinoline
CID 106778414
3-(2,3-dihydro-1H-indol-2-yl)propan-1-ol
CID 10976039
(2R)-2-pentyl-2,3-dihydro-1H-quinolin-4-one
CID 53304941
(2S)-2-pentadecyl-2,3-dihydro-1H-indole-5-carboxylic acid
CID 70487224
(2S)-2-decyl-2,3-dihydro-1H-indole-6-carboxylic acid
CID 70486702
2-(2,3-dihydro-1H-indol-2-yl)ethanamine;dihydrochloride
CID 165454907
(2S)-2-undecyl-2,3-dihydro-1H-indole-4-carboxylic acid
CID 70486415
N-butan-2-yl-N-(2,3-dihydro-1H-indol-2-ylmethyl)butan-1-amine
CID 80567596
[(2S)-2,3-dihydro-1H-indol-2-yl]methanamine
CID 82667971

Frequently Asked Questions

What is the IUPAC name of 2-nonyl-2,3-dihydro-1H-indole?
The IUPAC name of 2-nonyl-2,3-dihydro-1H-indole (CID 65041926) is 2-nonyl-2,3-dihydro-1H-indole.
What is the SMILES notation for 2-nonyl-2,3-dihydro-1H-indole?
The canonical SMILES for 2-nonyl-2,3-dihydro-1H-indole is CCCCCCCCCC1Cc2ccccc2N1.
What is the InChIKey of 2-nonyl-2,3-dihydro-1H-indole?
The InChIKey is WRNDXLPQIOGTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-2-3-4-5-6-7-8-12-16-14-15-11-9-10-13-17(15)18-16/h9-11,13,16,18H,2-8,12,14H2,1H3.
What are the key properties of 2-nonyl-2,3-dihydro-1H-indole?
2-nonyl-2,3-dihydro-1H-indole has a molecular weight of 245.41 g/mol, XLogP of 5.16, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nonyl-2,3-dihydro-1H-indole is sourced from PubChem (CID 65041926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).