6-[(1-methyl-2,3-dihydroindol-5-yl)amino]hexanoic acid

C15H22N2O2 — CID 82539115

IUPAC6-[(1-methyl-2,3-dihydroindol-5-yl)amino]hexanoic acid
SMILESCN1CCc2cc(NCCCCCC(=O)O)ccc21
InChIInChI=1S/C15H22N2O2/c1-17-10-8-12-11-13(6-7-14(12)17)16-9-4-2-3-5-15(18)19/h6-7,11,16H,2-5,8-10H2,1H3,(H,18,19)
InChIKeyHJKRVMBGRWISOG-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.74
Rot. Bonds7

About 6-[(1-methyl-2,3-dihydroindol-5-yl)amino]hexanoic acid

6-[(1-methyl-2,3-dihydroindol-5-yl)amino]hexanoic acid (PubChem CID 82539115) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 6-[(1-methyl-2,3-dihydroindol-5-yl)amino]hexanoic acid.

Molecular Properties

Compound Name6-[(1-methyl-2,3-dihydroindol-5-yl)amino]hexanoic acid
PubChem CID82539115
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name6-[(1-methyl-2,3-dihydroindol-5-yl)amino]hexanoic acid
SMILESCN1CCc2cc(NCCCCCC(=O)O)ccc21
InChIInChI=1S/C15H22N2O2/c1-17-10-8-12-11-13(6-7-14(12)17)16-9-4-2-3-5-15(18)19/h6-7,11,16H,2-5,8-10H2,1H3,(H,18,19)
InChIKeyHJKRVMBGRWISOG-UHFFFAOYSA-N
XLogP2.74
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(1-methyl-2,3-dihydroindol-5-yl)amino]hexanoic acid?
The IUPAC name of 6-[(1-methyl-2,3-dihydroindol-5-yl)amino]hexanoic acid (CID 82539115) is 6-[(1-methyl-2,3-dihydroindol-5-yl)amino]hexanoic acid.
What is the SMILES notation for 6-[(1-methyl-2,3-dihydroindol-5-yl)amino]hexanoic acid?
The canonical SMILES for 6-[(1-methyl-2,3-dihydroindol-5-yl)amino]hexanoic acid is CN1CCc2cc(NCCCCCC(=O)O)ccc21.
What is the InChIKey of 6-[(1-methyl-2,3-dihydroindol-5-yl)amino]hexanoic acid?
The InChIKey is HJKRVMBGRWISOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-17-10-8-12-11-13(6-7-14(12)17)16-9-4-2-3-5-15(18)19/h6-7,11,16H,2-5,8-10H2,1H3,(H,18,19).
What are the key properties of 6-[(1-methyl-2,3-dihydroindol-5-yl)amino]hexanoic acid?
6-[(1-methyl-2,3-dihydroindol-5-yl)amino]hexanoic acid has a molecular weight of 262.35 g/mol, XLogP of 2.74, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-methyl-2,3-dihydroindol-5-yl)amino]hexanoic acid is sourced from PubChem (CID 82539115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).