propyl 4-amino-2-propyl-1,3-dihydroisoindole-5-carboxylate

C15H22N2O2 — CID 55149941

IUPACpropyl 4-amino-2-propyl-1,3-dihydroisoindole-5-carboxylate
SMILESCCCOC(=O)c1ccc2c(c1N)CN(CCC)C2
InChIInChI=1S/C15H22N2O2/c1-3-7-17-9-11-5-6-12(14(16)13(11)10-17)15(18)19-8-4-2/h5-6H,3-4,7-10,16H2,1-2H3
InChIKeyAQAHVPBZIFENRC-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.56
Rot. Bonds5

About propyl 4-amino-2-propyl-1,3-dihydroisoindole-5-carboxylate

propyl 4-amino-2-propyl-1,3-dihydroisoindole-5-carboxylate (PubChem CID 55149941) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is propyl 4-amino-2-propyl-1,3-dihydroisoindole-5-carboxylate.

Molecular Properties

Compound Namepropyl 4-amino-2-propyl-1,3-dihydroisoindole-5-carboxylate
PubChem CID55149941
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Namepropyl 4-amino-2-propyl-1,3-dihydroisoindole-5-carboxylate
SMILESCCCOC(=O)c1ccc2c(c1N)CN(CCC)C2
InChIInChI=1S/C15H22N2O2/c1-3-7-17-9-11-5-6-12(14(16)13(11)10-17)15(18)19-8-4-2/h5-6H,3-4,7-10,16H2,1-2H3
InChIKeyAQAHVPBZIFENRC-UHFFFAOYSA-N
XLogP2.56
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze propyl 4-amino-2-propyl-1,3-dihydroisoindole-5-carboxylate 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 propyl 4-amino-2-propyl-1,3-dihydroisoindole-5-carboxylate?
The IUPAC name of propyl 4-amino-2-propyl-1,3-dihydroisoindole-5-carboxylate (CID 55149941) is propyl 4-amino-2-propyl-1,3-dihydroisoindole-5-carboxylate.
What is the SMILES notation for propyl 4-amino-2-propyl-1,3-dihydroisoindole-5-carboxylate?
The canonical SMILES for propyl 4-amino-2-propyl-1,3-dihydroisoindole-5-carboxylate is CCCOC(=O)c1ccc2c(c1N)CN(CCC)C2.
What is the InChIKey of propyl 4-amino-2-propyl-1,3-dihydroisoindole-5-carboxylate?
The InChIKey is AQAHVPBZIFENRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-3-7-17-9-11-5-6-12(14(16)13(11)10-17)15(18)19-8-4-2/h5-6H,3-4,7-10,16H2,1-2H3.
What are the key properties of propyl 4-amino-2-propyl-1,3-dihydroisoindole-5-carboxylate?
propyl 4-amino-2-propyl-1,3-dihydroisoindole-5-carboxylate has a molecular weight of 262.35 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-amino-2-propyl-1,3-dihydroisoindole-5-carboxylate is sourced from PubChem (CID 55149941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).