1-amino-2-hexyl-1,3-dihydroinden-2-ol

C15H23NO — CID 118588844

IUPAC1-amino-2-hexyl-1,3-dihydroinden-2-ol
SMILESCCCCCCC1(O)Cc2ccccc2C1N
InChIInChI=1S/C15H23NO/c1-2-3-4-7-10-15(17)11-12-8-5-6-9-13(12)14(15)16/h5-6,8-9,14,17H,2-4,7,10-11,16H2,1H3
InChIKeyUYISESYXXRHTSJ-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.94
Rot. Bonds5

About 1-amino-2-hexyl-1,3-dihydroinden-2-ol

1-amino-2-hexyl-1,3-dihydroinden-2-ol (PubChem CID 118588844) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 1-amino-2-hexyl-1,3-dihydroinden-2-ol.

Molecular Properties

Compound Name1-amino-2-hexyl-1,3-dihydroinden-2-ol
PubChem CID118588844
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name1-amino-2-hexyl-1,3-dihydroinden-2-ol
SMILESCCCCCCC1(O)Cc2ccccc2C1N
InChIInChI=1S/C15H23NO/c1-2-3-4-7-10-15(17)11-12-8-5-6-9-13(12)14(15)16/h5-6,8-9,14,17H,2-4,7,10-11,16H2,1H3
InChIKeyUYISESYXXRHTSJ-UHFFFAOYSA-N
XLogP2.94
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 1-amino-2-hexyl-1,3-dihydroinden-2-ol?
The IUPAC name of 1-amino-2-hexyl-1,3-dihydroinden-2-ol (CID 118588844) is 1-amino-2-hexyl-1,3-dihydroinden-2-ol.
What is the SMILES notation for 1-amino-2-hexyl-1,3-dihydroinden-2-ol?
The canonical SMILES for 1-amino-2-hexyl-1,3-dihydroinden-2-ol is CCCCCCC1(O)Cc2ccccc2C1N.
What is the InChIKey of 1-amino-2-hexyl-1,3-dihydroinden-2-ol?
The InChIKey is UYISESYXXRHTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-2-3-4-7-10-15(17)11-12-8-5-6-9-13(12)14(15)16/h5-6,8-9,14,17H,2-4,7,10-11,16H2,1H3.
What are the key properties of 1-amino-2-hexyl-1,3-dihydroinden-2-ol?
1-amino-2-hexyl-1,3-dihydroinden-2-ol has a molecular weight of 233.35 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-hexyl-1,3-dihydroinden-2-ol is sourced from PubChem (CID 118588844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).