7-hexoxy-3-iminoisoindol-1-amine

C14H19N3O — CID 21471047

IUPAC7-hexoxy-3-iminoisoindol-1-amine
SMILES[H]/N=C1\N=C(N)c2c(OCCCCCC)cccc21
InChIInChI=1S/C14H19N3O/c1-2-3-4-5-9-18-11-8-6-7-10-12(11)14(16)17-13(10)15/h6-8H,2-5,9H2,1H3,(H3,15,16,17)
InChIKeyVFNBOQNOGMRIOK-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.69
Rot. Bonds6

About 7-hexoxy-3-iminoisoindol-1-amine

7-hexoxy-3-iminoisoindol-1-amine (PubChem CID 21471047) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 7-hexoxy-3-iminoisoindol-1-amine.

Molecular Properties

Compound Name7-hexoxy-3-iminoisoindol-1-amine
PubChem CID21471047
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name7-hexoxy-3-iminoisoindol-1-amine
SMILES[H]/N=C1\N=C(N)c2c(OCCCCCC)cccc21
InChIInChI=1S/C14H19N3O/c1-2-3-4-5-9-18-11-8-6-7-10-12(11)14(16)17-13(10)15/h6-8H,2-5,9H2,1H3,(H3,15,16,17)
InChIKeyVFNBOQNOGMRIOK-UHFFFAOYSA-N
XLogP2.69
TPSA71.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 7-hexoxy-3-iminoisoindol-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-hexoxy-3-iminoisoindol-1-amine?
The IUPAC name of 7-hexoxy-3-iminoisoindol-1-amine (CID 21471047) is 7-hexoxy-3-iminoisoindol-1-amine.
What is the SMILES notation for 7-hexoxy-3-iminoisoindol-1-amine?
The canonical SMILES for 7-hexoxy-3-iminoisoindol-1-amine is [H]/N=C1\N=C(N)c2c(OCCCCCC)cccc21.
What is the InChIKey of 7-hexoxy-3-iminoisoindol-1-amine?
The InChIKey is VFNBOQNOGMRIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-2-3-4-5-9-18-11-8-6-7-10-12(11)14(16)17-13(10)15/h6-8H,2-5,9H2,1H3,(H3,15,16,17).
What are the key properties of 7-hexoxy-3-iminoisoindol-1-amine?
7-hexoxy-3-iminoisoindol-1-amine has a molecular weight of 245.33 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hexoxy-3-iminoisoindol-1-amine is sourced from PubChem (CID 21471047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).