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'}

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

6-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)amino]hexanoic acid
CID 82539109
3-[(1-methyl-2,3-dihydroindol-5-yl)amino]propan-1-ol
CID 82539750
5-[(1-methyl-2-oxo-3H-indol-5-yl)amino]pentanoic acid
CID 115218869
N-ethyl-1-methyl-2,3-dihydroindol-5-amine
CID 82539913
3-[(1-methyl-2-oxo-3H-indol-5-yl)amino]propanoic acid
CID 82496248
5-(3,4-difluoroanilino)pentanoic acid
CID 28972140
6-(naphthalen-2-ylamino)hexanoic acid
CID 14979105
3-methyl-3-(1-methyl-2,3-dihydroindol-5-yl)butanoic acid
CID 117338677
tert-butyl 5-(pentylamino)-2,3-dihydroindole-1-carboxylate
CID 107242303
4-(2,3-dihydro-1-benzofuran-5-ylamino)butanoic acid
CID 115218481
2-ethyl-N-(1-methyl-2,3-dihydroindol-5-yl)butanamide
CID 110729318
2-cyano-N-(1-methyl-2,3-dihydroindol-5-yl)acetamide
CID 168523549

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).