3-ethoxy-3-octylisoindol-1-amine

C18H28N2O — CID 151779223

IUPAC3-ethoxy-3-octylisoindol-1-amine
SMILESCCCCCCCCC1(OCC)N=C(N)c2ccccc21
InChIInChI=1S/C18H28N2O/c1-3-5-6-7-8-11-14-18(21-4-2)16-13-10-9-12-15(16)17(19)20-18/h9-10,12-13H,3-8,11,14H2,1-2H3,(H2,19,20)
InChIKeyRUFVLOHLFOVZOK-UHFFFAOYSA-N
MW288.44 g/mol
LogP4.35
Rot. Bonds9

About 3-ethoxy-3-octylisoindol-1-amine

3-ethoxy-3-octylisoindol-1-amine (PubChem CID 151779223) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 3-ethoxy-3-octylisoindol-1-amine.

Molecular Properties

Compound Name3-ethoxy-3-octylisoindol-1-amine
PubChem CID151779223
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name3-ethoxy-3-octylisoindol-1-amine
SMILESCCCCCCCCC1(OCC)N=C(N)c2ccccc21
InChIInChI=1S/C18H28N2O/c1-3-5-6-7-8-11-14-18(21-4-2)16-13-10-9-12-15(16)17(19)20-18/h9-10,12-13H,3-8,11,14H2,1-2H3,(H2,19,20)
InChIKeyRUFVLOHLFOVZOK-UHFFFAOYSA-N
XLogP4.35
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 3-ethoxy-3-octylisoindol-1-amine?
The IUPAC name of 3-ethoxy-3-octylisoindol-1-amine (CID 151779223) is 3-ethoxy-3-octylisoindol-1-amine.
What is the SMILES notation for 3-ethoxy-3-octylisoindol-1-amine?
The canonical SMILES for 3-ethoxy-3-octylisoindol-1-amine is CCCCCCCCC1(OCC)N=C(N)c2ccccc21.
What is the InChIKey of 3-ethoxy-3-octylisoindol-1-amine?
The InChIKey is RUFVLOHLFOVZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-3-5-6-7-8-11-14-18(21-4-2)16-13-10-9-12-15(16)17(19)20-18/h9-10,12-13H,3-8,11,14H2,1-2H3,(H2,19,20).
What are the key properties of 3-ethoxy-3-octylisoindol-1-amine?
3-ethoxy-3-octylisoindol-1-amine has a molecular weight of 288.44 g/mol, XLogP of 4.35, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-3-octylisoindol-1-amine is sourced from PubChem (CID 151779223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).