(1S,2R)-2-[8-[[(1S,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]oxy]octoxy]-2,3-dihydro-1H-inden-1-amine

C26H36N2O2 — CID 151204534

IUPAC(1S,2R)-2-[8-[[(1S,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]oxy]octoxy]-2,3-dihydro-1H-inden-1-amine
SMILESN[C@H]1c2ccccc2C[C@H]1OCCCCCCCCO[C@@H]1Cc2ccccc2[C@@H]1N
InChIInChI=1S/C26H36N2O2/c27-25-21-13-7-5-11-19(21)17-23(25)29-15-9-3-1-2-4-10-16-30-24-18-20-12-6-8-14-22(20)26(24)28/h5-8,11-14,23-26H,1-4,9-10,15-18,27-28H2/t23-,24-,25+,26+/m1/s1
InChIKeyNIZRUFIOILYAIM-XPGKHFPBSA-N
MW408.59 g/mol
LogP4.61
Rot. Bonds11

About (1S,2R)-2-[8-[[(1S,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]oxy]octoxy]-2,3-dihydro-1H-inden-1-amine

(1S,2R)-2-[8-[[(1S,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]oxy]octoxy]-2,3-dihydro-1H-inden-1-amine (PubChem CID 151204534) has the molecular formula C26H36N2O2 and a molecular weight of 408.59 g/mol. Its IUPAC name is (1S,2R)-2-[8-[[(1S,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]oxy]octoxy]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name(1S,2R)-2-[8-[[(1S,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]oxy]octoxy]-2,3-dihydro-1H-inden-1-amine
PubChem CID151204534
Molecular FormulaC26H36N2O2
Molecular Weight408.59 g/mol
Exact Mass408.28
IUPAC Name(1S,2R)-2-[8-[[(1S,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]oxy]octoxy]-2,3-dihydro-1H-inden-1-amine
SMILESN[C@H]1c2ccccc2C[C@H]1OCCCCCCCCO[C@@H]1Cc2ccccc2[C@@H]1N
InChIInChI=1S/C26H36N2O2/c27-25-21-13-7-5-11-19(21)17-23(25)29-15-9-3-1-2-4-10-16-30-24-18-20-12-6-8-14-22(20)26(24)28/h5-8,11-14,23-26H,1-4,9-10,15-18,27-28H2/t23-,24-,25+,26+/m1/s1
InChIKeyNIZRUFIOILYAIM-XPGKHFPBSA-N
XLogP4.61
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.59
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 (1S,2R)-2-[8-[[(1S,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]oxy]octoxy]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of (1S,2R)-2-[8-[[(1S,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]oxy]octoxy]-2,3-dihydro-1H-inden-1-amine (CID 151204534) is (1S,2R)-2-[8-[[(1S,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]oxy]octoxy]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for (1S,2R)-2-[8-[[(1S,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]oxy]octoxy]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for (1S,2R)-2-[8-[[(1S,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]oxy]octoxy]-2,3-dihydro-1H-inden-1-amine is N[C@H]1c2ccccc2C[C@H]1OCCCCCCCCO[C@@H]1Cc2ccccc2[C@@H]1N.
What is the InChIKey of (1S,2R)-2-[8-[[(1S,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]oxy]octoxy]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is NIZRUFIOILYAIM-XPGKHFPBSA-N. The full InChI is InChI=1S/C26H36N2O2/c27-25-21-13-7-5-11-19(21)17-23(25)29-15-9-3-1-2-4-10-16-30-24-18-20-12-6-8-14-22(20)26(24)28/h5-8,11-14,23-26H,1-4,9-10,15-18,27-28H2/t23-,24-,25+,26+/m1/s1.
What are the key properties of (1S,2R)-2-[8-[[(1S,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]oxy]octoxy]-2,3-dihydro-1H-inden-1-amine?
(1S,2R)-2-[8-[[(1S,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]oxy]octoxy]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 408.59 g/mol, XLogP of 4.61, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2-[8-[[(1S,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]oxy]octoxy]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 151204534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).