[1,3-dimethyl-2-(2-methylpropyl)-1,3-dihydroisoindol-5-yl]methanamine

C15H24N2 — CID 83980237

IUPAC[1,3-dimethyl-2-(2-methylpropyl)-1,3-dihydroisoindol-5-yl]methanamine
SMILESCC(C)CN1C(C)c2ccc(CN)cc2C1C
InChIInChI=1S/C15H24N2/c1-10(2)9-17-11(3)14-6-5-13(8-16)7-15(14)12(17)4/h5-7,10-12H,8-9,16H2,1-4H3
InChIKeyHTYKCHISXLRCBV-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.24
Rot. Bonds3

About [1,3-dimethyl-2-(2-methylpropyl)-1,3-dihydroisoindol-5-yl]methanamine

[1,3-dimethyl-2-(2-methylpropyl)-1,3-dihydroisoindol-5-yl]methanamine (PubChem CID 83980237) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is [1,3-dimethyl-2-(2-methylpropyl)-1,3-dihydroisoindol-5-yl]methanamine.

Molecular Properties

Compound Name[1,3-dimethyl-2-(2-methylpropyl)-1,3-dihydroisoindol-5-yl]methanamine
PubChem CID83980237
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name[1,3-dimethyl-2-(2-methylpropyl)-1,3-dihydroisoindol-5-yl]methanamine
SMILESCC(C)CN1C(C)c2ccc(CN)cc2C1C
InChIInChI=1S/C15H24N2/c1-10(2)9-17-11(3)14-6-5-13(8-16)7-15(14)12(17)4/h5-7,10-12H,8-9,16H2,1-4H3
InChIKeyHTYKCHISXLRCBV-UHFFFAOYSA-N
XLogP3.24
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [1,3-dimethyl-2-(2-methylpropyl)-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 [1,3-dimethyl-2-(2-methylpropyl)-1,3-dihydroisoindol-5-yl]methanamine?
The IUPAC name of [1,3-dimethyl-2-(2-methylpropyl)-1,3-dihydroisoindol-5-yl]methanamine (CID 83980237) is [1,3-dimethyl-2-(2-methylpropyl)-1,3-dihydroisoindol-5-yl]methanamine.
What is the SMILES notation for [1,3-dimethyl-2-(2-methylpropyl)-1,3-dihydroisoindol-5-yl]methanamine?
The canonical SMILES for [1,3-dimethyl-2-(2-methylpropyl)-1,3-dihydroisoindol-5-yl]methanamine is CC(C)CN1C(C)c2ccc(CN)cc2C1C.
What is the InChIKey of [1,3-dimethyl-2-(2-methylpropyl)-1,3-dihydroisoindol-5-yl]methanamine?
The InChIKey is HTYKCHISXLRCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-10(2)9-17-11(3)14-6-5-13(8-16)7-15(14)12(17)4/h5-7,10-12H,8-9,16H2,1-4H3.
What are the key properties of [1,3-dimethyl-2-(2-methylpropyl)-1,3-dihydroisoindol-5-yl]methanamine?
[1,3-dimethyl-2-(2-methylpropyl)-1,3-dihydroisoindol-5-yl]methanamine has a molecular weight of 232.37 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1,3-dimethyl-2-(2-methylpropyl)-1,3-dihydroisoindol-5-yl]methanamine is sourced from PubChem (CID 83980237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).