2-(1-ethylpiperidin-3-yl)-1,3-dihydroisoindol-5-amine

C15H23N3 — CID 54958850

IUPAC2-(1-ethylpiperidin-3-yl)-1,3-dihydroisoindol-5-amine
SMILESCCN1CCCC(N2Cc3ccc(N)cc3C2)C1
InChIInChI=1S/C15H23N3/c1-2-17-7-3-4-15(11-17)18-9-12-5-6-14(16)8-13(12)10-18/h5-6,8,15H,2-4,7,9-11,16H2,1H3
InChIKeyVDJXWBNIIDOTPL-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.07
Rot. Bonds2

About 2-(1-ethylpiperidin-3-yl)-1,3-dihydroisoindol-5-amine

2-(1-ethylpiperidin-3-yl)-1,3-dihydroisoindol-5-amine (PubChem CID 54958850) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-(1-ethylpiperidin-3-yl)-1,3-dihydroisoindol-5-amine.

Molecular Properties

Compound Name2-(1-ethylpiperidin-3-yl)-1,3-dihydroisoindol-5-amine
PubChem CID54958850
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name2-(1-ethylpiperidin-3-yl)-1,3-dihydroisoindol-5-amine
SMILESCCN1CCCC(N2Cc3ccc(N)cc3C2)C1
InChIInChI=1S/C15H23N3/c1-2-17-7-3-4-15(11-17)18-9-12-5-6-14(16)8-13(12)10-18/h5-6,8,15H,2-4,7,9-11,16H2,1H3
InChIKeyVDJXWBNIIDOTPL-UHFFFAOYSA-N
XLogP2.07
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(1-ethylpiperidin-3-yl)-1,3-dihydroisoindol-5-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 2-(1-ethylpiperidin-3-yl)-1,3-dihydroisoindol-5-amine?
The IUPAC name of 2-(1-ethylpiperidin-3-yl)-1,3-dihydroisoindol-5-amine (CID 54958850) is 2-(1-ethylpiperidin-3-yl)-1,3-dihydroisoindol-5-amine.
What is the SMILES notation for 2-(1-ethylpiperidin-3-yl)-1,3-dihydroisoindol-5-amine?
The canonical SMILES for 2-(1-ethylpiperidin-3-yl)-1,3-dihydroisoindol-5-amine is CCN1CCCC(N2Cc3ccc(N)cc3C2)C1.
What is the InChIKey of 2-(1-ethylpiperidin-3-yl)-1,3-dihydroisoindol-5-amine?
The InChIKey is VDJXWBNIIDOTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-2-17-7-3-4-15(11-17)18-9-12-5-6-14(16)8-13(12)10-18/h5-6,8,15H,2-4,7,9-11,16H2,1H3.
What are the key properties of 2-(1-ethylpiperidin-3-yl)-1,3-dihydroisoindol-5-amine?
2-(1-ethylpiperidin-3-yl)-1,3-dihydroisoindol-5-amine has a molecular weight of 245.37 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpiperidin-3-yl)-1,3-dihydroisoindol-5-amine is sourced from PubChem (CID 54958850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).