3-ethoxy-3-heptylisoindol-1-amine

C17H26N2O — CID 150775077

IUPAC3-ethoxy-3-heptylisoindol-1-amine
SMILESCCCCCCCC1(OCC)N=C(N)c2ccccc21
InChIInChI=1S/C17H26N2O/c1-3-5-6-7-10-13-17(20-4-2)15-12-9-8-11-14(15)16(18)19-17/h8-9,11-12H,3-7,10,13H2,1-2H3,(H2,18,19)
InChIKeyKARRVHPRAIEWQG-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.96
Rot. Bonds8

About 3-ethoxy-3-heptylisoindol-1-amine

3-ethoxy-3-heptylisoindol-1-amine (PubChem CID 150775077) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 3-ethoxy-3-heptylisoindol-1-amine.

Molecular Properties

Compound Name3-ethoxy-3-heptylisoindol-1-amine
PubChem CID150775077
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name3-ethoxy-3-heptylisoindol-1-amine
SMILESCCCCCCCC1(OCC)N=C(N)c2ccccc21
InChIInChI=1S/C17H26N2O/c1-3-5-6-7-10-13-17(20-4-2)15-12-9-8-11-14(15)16(18)19-17/h8-9,11-12H,3-7,10,13H2,1-2H3,(H2,18,19)
InChIKeyKARRVHPRAIEWQG-UHFFFAOYSA-N
XLogP3.96
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.96
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-heptylisoindol-1-amine?
The IUPAC name of 3-ethoxy-3-heptylisoindol-1-amine (CID 150775077) is 3-ethoxy-3-heptylisoindol-1-amine.
What is the SMILES notation for 3-ethoxy-3-heptylisoindol-1-amine?
The canonical SMILES for 3-ethoxy-3-heptylisoindol-1-amine is CCCCCCCC1(OCC)N=C(N)c2ccccc21.
What is the InChIKey of 3-ethoxy-3-heptylisoindol-1-amine?
The InChIKey is KARRVHPRAIEWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-3-5-6-7-10-13-17(20-4-2)15-12-9-8-11-14(15)16(18)19-17/h8-9,11-12H,3-7,10,13H2,1-2H3,(H2,18,19).
What are the key properties of 3-ethoxy-3-heptylisoindol-1-amine?
3-ethoxy-3-heptylisoindol-1-amine has a molecular weight of 274.41 g/mol, XLogP of 3.96, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-3-heptylisoindol-1-amine is sourced from PubChem (CID 150775077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).