5-amino-1-(2-methylpentyl)-2,3-dihydroinden-1-ol

C15H23NO — CID 80562590

IUPAC5-amino-1-(2-methylpentyl)-2,3-dihydroinden-1-ol
SMILESCCCC(C)CC1(O)CCc2cc(N)ccc21
InChIInChI=1S/C15H23NO/c1-3-4-11(2)10-15(17)8-7-12-9-13(16)5-6-14(12)15/h5-6,9,11,17H,3-4,7-8,10,16H2,1-2H3
InChIKeyZHKPYEMTWOWZBH-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.23
Rot. Bonds4

About 5-amino-1-(2-methylpentyl)-2,3-dihydroinden-1-ol

5-amino-1-(2-methylpentyl)-2,3-dihydroinden-1-ol (PubChem CID 80562590) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 5-amino-1-(2-methylpentyl)-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name5-amino-1-(2-methylpentyl)-2,3-dihydroinden-1-ol
PubChem CID80562590
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name5-amino-1-(2-methylpentyl)-2,3-dihydroinden-1-ol
SMILESCCCC(C)CC1(O)CCc2cc(N)ccc21
InChIInChI=1S/C15H23NO/c1-3-4-11(2)10-15(17)8-7-12-9-13(16)5-6-14(12)15/h5-6,9,11,17H,3-4,7-8,10,16H2,1-2H3
InChIKeyZHKPYEMTWOWZBH-UHFFFAOYSA-N
XLogP3.23
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(2-methylpentyl)-2,3-dihydroinden-1-ol?
The IUPAC name of 5-amino-1-(2-methylpentyl)-2,3-dihydroinden-1-ol (CID 80562590) is 5-amino-1-(2-methylpentyl)-2,3-dihydroinden-1-ol.
What is the SMILES notation for 5-amino-1-(2-methylpentyl)-2,3-dihydroinden-1-ol?
The canonical SMILES for 5-amino-1-(2-methylpentyl)-2,3-dihydroinden-1-ol is CCCC(C)CC1(O)CCc2cc(N)ccc21.
What is the InChIKey of 5-amino-1-(2-methylpentyl)-2,3-dihydroinden-1-ol?
The InChIKey is ZHKPYEMTWOWZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-3-4-11(2)10-15(17)8-7-12-9-13(16)5-6-14(12)15/h5-6,9,11,17H,3-4,7-8,10,16H2,1-2H3.
What are the key properties of 5-amino-1-(2-methylpentyl)-2,3-dihydroinden-1-ol?
5-amino-1-(2-methylpentyl)-2,3-dihydroinden-1-ol has a molecular weight of 233.35 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(2-methylpentyl)-2,3-dihydroinden-1-ol is sourced from PubChem (CID 80562590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).