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

C15H23NO — CID 107089566

IUPAC3-amino-1-(2-methylpentyl)-2,3-dihydroinden-1-ol
SMILESCCCC(C)CC1(O)CC(N)c2ccccc21
InChIInChI=1S/C15H23NO/c1-3-6-11(2)9-15(17)10-14(16)12-7-4-5-8-13(12)15/h4-5,7-8,11,14,17H,3,6,9-10,16H2,1-2H3
InChIKeyPGAQIJCFZVXXBU-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.10
Rot. Bonds4

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

3-amino-1-(2-methylpentyl)-2,3-dihydroinden-1-ol (PubChem CID 107089566) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 3-amino-1-(2-methylpentyl)-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name3-amino-1-(2-methylpentyl)-2,3-dihydroinden-1-ol
PubChem CID107089566
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name3-amino-1-(2-methylpentyl)-2,3-dihydroinden-1-ol
SMILESCCCC(C)CC1(O)CC(N)c2ccccc21
InChIInChI=1S/C15H23NO/c1-3-6-11(2)9-15(17)10-14(16)12-7-4-5-8-13(12)15/h4-5,7-8,11,14,17H,3,6,9-10,16H2,1-2H3
InChIKeyPGAQIJCFZVXXBU-UHFFFAOYSA-N
XLogP3.10
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 ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-methylpentyl)-2,3-dihydroinden-1-ol?
The IUPAC name of 3-amino-1-(2-methylpentyl)-2,3-dihydroinden-1-ol (CID 107089566) is 3-amino-1-(2-methylpentyl)-2,3-dihydroinden-1-ol.
What is the SMILES notation for 3-amino-1-(2-methylpentyl)-2,3-dihydroinden-1-ol?
The canonical SMILES for 3-amino-1-(2-methylpentyl)-2,3-dihydroinden-1-ol is CCCC(C)CC1(O)CC(N)c2ccccc21.
What is the InChIKey of 3-amino-1-(2-methylpentyl)-2,3-dihydroinden-1-ol?
The InChIKey is PGAQIJCFZVXXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-3-6-11(2)9-15(17)10-14(16)12-7-4-5-8-13(12)15/h4-5,7-8,11,14,17H,3,6,9-10,16H2,1-2H3.
What are the key properties of 3-amino-1-(2-methylpentyl)-2,3-dihydroinden-1-ol?
3-amino-1-(2-methylpentyl)-2,3-dihydroinden-1-ol has a molecular weight of 233.35 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-methylpentyl)-2,3-dihydroinden-1-ol is sourced from PubChem (CID 107089566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).