N-[[2-(2-methylpropyl)-1,3-dihydroisoindol-5-yl]methyl]ethanamine

C15H24N2 — CID 82163806

IUPACN-[[2-(2-methylpropyl)-1,3-dihydroisoindol-5-yl]methyl]ethanamine
SMILESCCNCc1ccc2c(c1)CN(CC(C)C)C2
InChIInChI=1S/C15H24N2/c1-4-16-8-13-5-6-14-10-17(9-12(2)3)11-15(14)7-13/h5-7,12,16H,4,8-11H2,1-3H3
InChIKeyJGNPOFYXZXRMJC-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.77
Rot. Bonds5

About N-[[2-(2-methylpropyl)-1,3-dihydroisoindol-5-yl]methyl]ethanamine

N-[[2-(2-methylpropyl)-1,3-dihydroisoindol-5-yl]methyl]ethanamine (PubChem CID 82163806) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N-[[2-(2-methylpropyl)-1,3-dihydroisoindol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(2-methylpropyl)-1,3-dihydroisoindol-5-yl]methyl]ethanamine
PubChem CID82163806
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC NameN-[[2-(2-methylpropyl)-1,3-dihydroisoindol-5-yl]methyl]ethanamine
SMILESCCNCc1ccc2c(c1)CN(CC(C)C)C2
InChIInChI=1S/C15H24N2/c1-4-16-8-13-5-6-14-10-17(9-12(2)3)11-15(14)7-13/h5-7,12,16H,4,8-11H2,1-3H3
InChIKeyJGNPOFYXZXRMJC-UHFFFAOYSA-N
XLogP2.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methylpropyl)-1,3-dihydroisoindol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(2-methylpropyl)-1,3-dihydroisoindol-5-yl]methyl]ethanamine (CID 82163806) is N-[[2-(2-methylpropyl)-1,3-dihydroisoindol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(2-methylpropyl)-1,3-dihydroisoindol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(2-methylpropyl)-1,3-dihydroisoindol-5-yl]methyl]ethanamine is CCNCc1ccc2c(c1)CN(CC(C)C)C2.
What is the InChIKey of N-[[2-(2-methylpropyl)-1,3-dihydroisoindol-5-yl]methyl]ethanamine?
The InChIKey is JGNPOFYXZXRMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-4-16-8-13-5-6-14-10-17(9-12(2)3)11-15(14)7-13/h5-7,12,16H,4,8-11H2,1-3H3.
What are the key properties of N-[[2-(2-methylpropyl)-1,3-dihydroisoindol-5-yl]methyl]ethanamine?
N-[[2-(2-methylpropyl)-1,3-dihydroisoindol-5-yl]methyl]ethanamine has a molecular weight of 232.37 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methylpropyl)-1,3-dihydroisoindol-5-yl]methyl]ethanamine is sourced from PubChem (CID 82163806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).