(2-prop-2-enyl-1,3-dihydroisoindol-5-yl)methanamine

C12H16N2 — CID 82504497

IUPAC(2-prop-2-enyl-1,3-dihydroisoindol-5-yl)methanamine
SMILESC=CCN1Cc2ccc(CN)cc2C1
InChIInChI=1S/C12H16N2/c1-2-5-14-8-11-4-3-10(7-13)6-12(11)9-14/h2-4,6H,1,5,7-9,13H2
InChIKeyFNCNMXIEXDVHSX-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.65
Rot. Bonds3

About (2-prop-2-enyl-1,3-dihydroisoindol-5-yl)methanamine

(2-prop-2-enyl-1,3-dihydroisoindol-5-yl)methanamine (PubChem CID 82504497) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is (2-prop-2-enyl-1,3-dihydroisoindol-5-yl)methanamine.

Molecular Properties

Compound Name(2-prop-2-enyl-1,3-dihydroisoindol-5-yl)methanamine
PubChem CID82504497
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name(2-prop-2-enyl-1,3-dihydroisoindol-5-yl)methanamine
SMILESC=CCN1Cc2ccc(CN)cc2C1
InChIInChI=1S/C12H16N2/c1-2-5-14-8-11-4-3-10(7-13)6-12(11)9-14/h2-4,6H,1,5,7-9,13H2
InChIKeyFNCNMXIEXDVHSX-UHFFFAOYSA-N
XLogP1.65
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2-prop-2-enyl-1,3-dihydroisoindol-5-yl)methanamine 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-prop-2-enyl-1,3-dihydroisoindol-5-yl)methanamine?
The IUPAC name of (2-prop-2-enyl-1,3-dihydroisoindol-5-yl)methanamine (CID 82504497) is (2-prop-2-enyl-1,3-dihydroisoindol-5-yl)methanamine.
What is the SMILES notation for (2-prop-2-enyl-1,3-dihydroisoindol-5-yl)methanamine?
The canonical SMILES for (2-prop-2-enyl-1,3-dihydroisoindol-5-yl)methanamine is C=CCN1Cc2ccc(CN)cc2C1.
What is the InChIKey of (2-prop-2-enyl-1,3-dihydroisoindol-5-yl)methanamine?
The InChIKey is FNCNMXIEXDVHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-2-5-14-8-11-4-3-10(7-13)6-12(11)9-14/h2-4,6H,1,5,7-9,13H2.
What are the key properties of (2-prop-2-enyl-1,3-dihydroisoindol-5-yl)methanamine?
(2-prop-2-enyl-1,3-dihydroisoindol-5-yl)methanamine has a molecular weight of 188.27 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-prop-2-enyl-1,3-dihydroisoindol-5-yl)methanamine is sourced from PubChem (CID 82504497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).