6-(7-amino-2,3-dihydroindol-1-yl)hexan-1-ol

C14H22N2O — CID 107705678

IUPAC6-(7-amino-2,3-dihydroindol-1-yl)hexan-1-ol
SMILESNc1cccc2c1N(CCCCCCO)CC2
InChIInChI=1S/C14H22N2O/c15-13-7-5-6-12-8-10-16(14(12)13)9-3-1-2-4-11-17/h5-7,17H,1-4,8-11,15H2
InChIKeyITIBAFGPAIIXOW-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.18
Rot. Bonds6

About 6-(7-amino-2,3-dihydroindol-1-yl)hexan-1-ol

6-(7-amino-2,3-dihydroindol-1-yl)hexan-1-ol (PubChem CID 107705678) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 6-(7-amino-2,3-dihydroindol-1-yl)hexan-1-ol.

Molecular Properties

Compound Name6-(7-amino-2,3-dihydroindol-1-yl)hexan-1-ol
PubChem CID107705678
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name6-(7-amino-2,3-dihydroindol-1-yl)hexan-1-ol
SMILESNc1cccc2c1N(CCCCCCO)CC2
InChIInChI=1S/C14H22N2O/c15-13-7-5-6-12-8-10-16(14(12)13)9-3-1-2-4-11-17/h5-7,17H,1-4,8-11,15H2
InChIKeyITIBAFGPAIIXOW-UHFFFAOYSA-N
XLogP2.18
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-nonyl-2,3-dihydroindol-7-amine
CID 114456337
1-hept-6-enyl-2,3-dihydroindol-7-amine
CID 107008081
3-(7-amino-2,3-dihydroindol-1-yl)propanoic acid
CID 114456211
1-decyl-3,4-dihydro-2H-quinolin-8-amine
CID 63462485
methyl 3-(7-amino-2,3-dihydroindol-1-yl)propanoate
CID 114456156
1-[2-(4-methylpiperazin-1-yl)ethyl]-2,3-dihydroindol-7-amine
CID 114456237
1-(2-ethylsulfonylethyl)-2,3-dihydroindol-7-amine
CID 114456285
2-(7-amino-2,3-dihydroindol-1-yl)-N,N-dimethylacetamide
CID 114456689
3-(7-amino-2,3-dihydroindol-1-yl)-N-propan-2-ylpropanamide
CID 114456373
2-(7-amino-2,3-dihydroindol-1-yl)-N-methylacetamide
CID 114456417
1-[3-(oxolan-2-yl)propyl]-2,3-dihydroindol-7-amine
CID 114456562
1-(3-phenylpropyl)-3,4-dihydro-2H-quinolin-8-amine
CID 61359358

Frequently Asked Questions

What is the IUPAC name of 6-(7-amino-2,3-dihydroindol-1-yl)hexan-1-ol?
The IUPAC name of 6-(7-amino-2,3-dihydroindol-1-yl)hexan-1-ol (CID 107705678) is 6-(7-amino-2,3-dihydroindol-1-yl)hexan-1-ol.
What is the SMILES notation for 6-(7-amino-2,3-dihydroindol-1-yl)hexan-1-ol?
The canonical SMILES for 6-(7-amino-2,3-dihydroindol-1-yl)hexan-1-ol is Nc1cccc2c1N(CCCCCCO)CC2.
What is the InChIKey of 6-(7-amino-2,3-dihydroindol-1-yl)hexan-1-ol?
The InChIKey is ITIBAFGPAIIXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c15-13-7-5-6-12-8-10-16(14(12)13)9-3-1-2-4-11-17/h5-7,17H,1-4,8-11,15H2.
What are the key properties of 6-(7-amino-2,3-dihydroindol-1-yl)hexan-1-ol?
6-(7-amino-2,3-dihydroindol-1-yl)hexan-1-ol has a molecular weight of 234.34 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7-amino-2,3-dihydroindol-1-yl)hexan-1-ol is sourced from PubChem (CID 107705678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).