2-methyl-N-(2-methylpropyl)-1,3-dihydroisoindol-5-amine

C13H20N2 — CID 115876895

IUPAC2-methyl-N-(2-methylpropyl)-1,3-dihydroisoindol-5-amine
SMILESCC(C)CNc1ccc2c(c1)CN(C)C2
InChIInChI=1S/C13H20N2/c1-10(2)7-14-13-5-4-11-8-15(3)9-12(11)6-13/h4-6,10,14H,7-9H2,1-3H3
InChIKeyRUKRUOGMNZKQJC-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.70
Rot. Bonds3

About 2-methyl-N-(2-methylpropyl)-1,3-dihydroisoindol-5-amine

2-methyl-N-(2-methylpropyl)-1,3-dihydroisoindol-5-amine (PubChem CID 115876895) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 2-methyl-N-(2-methylpropyl)-1,3-dihydroisoindol-5-amine.

Molecular Properties

Compound Name2-methyl-N-(2-methylpropyl)-1,3-dihydroisoindol-5-amine
PubChem CID115876895
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name2-methyl-N-(2-methylpropyl)-1,3-dihydroisoindol-5-amine
SMILESCC(C)CNc1ccc2c(c1)CN(C)C2
InChIInChI=1S/C13H20N2/c1-10(2)7-14-13-5-4-11-8-15(3)9-12(11)6-13/h4-6,10,14H,7-9H2,1-3H3
InChIKeyRUKRUOGMNZKQJC-UHFFFAOYSA-N
XLogP2.70
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-N-(2-methylpropyl)-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-methyl-N-(2-methylpropyl)-1,3-dihydroisoindol-5-amine?
The IUPAC name of 2-methyl-N-(2-methylpropyl)-1,3-dihydroisoindol-5-amine (CID 115876895) is 2-methyl-N-(2-methylpropyl)-1,3-dihydroisoindol-5-amine.
What is the SMILES notation for 2-methyl-N-(2-methylpropyl)-1,3-dihydroisoindol-5-amine?
The canonical SMILES for 2-methyl-N-(2-methylpropyl)-1,3-dihydroisoindol-5-amine is CC(C)CNc1ccc2c(c1)CN(C)C2.
What is the InChIKey of 2-methyl-N-(2-methylpropyl)-1,3-dihydroisoindol-5-amine?
The InChIKey is RUKRUOGMNZKQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-10(2)7-14-13-5-4-11-8-15(3)9-12(11)6-13/h4-6,10,14H,7-9H2,1-3H3.
What are the key properties of 2-methyl-N-(2-methylpropyl)-1,3-dihydroisoindol-5-amine?
2-methyl-N-(2-methylpropyl)-1,3-dihydroisoindol-5-amine has a molecular weight of 204.32 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylpropyl)-1,3-dihydroisoindol-5-amine is sourced from PubChem (CID 115876895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).