[6-[(dimethylamino)methyl]-2-methyl-1,3-dihydroisoindol-1-yl]methanamine

C13H21N3 — CID 82544636

IUPAC[6-[(dimethylamino)methyl]-2-methyl-1,3-dihydroisoindol-1-yl]methanamine
SMILESCN(C)Cc1ccc2c(c1)C(CN)N(C)C2
InChIInChI=1S/C13H21N3/c1-15(2)8-10-4-5-11-9-16(3)13(7-14)12(11)6-10/h4-6,13H,7-9,14H2,1-3H3
InChIKeyMXTUWJNSJLFMGT-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.19
Rot. Bonds3

About [6-[(dimethylamino)methyl]-2-methyl-1,3-dihydroisoindol-1-yl]methanamine

[6-[(dimethylamino)methyl]-2-methyl-1,3-dihydroisoindol-1-yl]methanamine (PubChem CID 82544636) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is [6-[(dimethylamino)methyl]-2-methyl-1,3-dihydroisoindol-1-yl]methanamine.

Molecular Properties

Compound Name[6-[(dimethylamino)methyl]-2-methyl-1,3-dihydroisoindol-1-yl]methanamine
PubChem CID82544636
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name[6-[(dimethylamino)methyl]-2-methyl-1,3-dihydroisoindol-1-yl]methanamine
SMILESCN(C)Cc1ccc2c(c1)C(CN)N(C)C2
InChIInChI=1S/C13H21N3/c1-15(2)8-10-4-5-11-9-16(3)13(7-14)12(11)6-10/h4-6,13H,7-9,14H2,1-3H3
InChIKeyMXTUWJNSJLFMGT-UHFFFAOYSA-N
XLogP1.19
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-[(dimethylamino)methyl]-2-methyl-1,3-dihydroisoindol-1-yl]methanamine?
The IUPAC name of [6-[(dimethylamino)methyl]-2-methyl-1,3-dihydroisoindol-1-yl]methanamine (CID 82544636) is [6-[(dimethylamino)methyl]-2-methyl-1,3-dihydroisoindol-1-yl]methanamine.
What is the SMILES notation for [6-[(dimethylamino)methyl]-2-methyl-1,3-dihydroisoindol-1-yl]methanamine?
The canonical SMILES for [6-[(dimethylamino)methyl]-2-methyl-1,3-dihydroisoindol-1-yl]methanamine is CN(C)Cc1ccc2c(c1)C(CN)N(C)C2.
What is the InChIKey of [6-[(dimethylamino)methyl]-2-methyl-1,3-dihydroisoindol-1-yl]methanamine?
The InChIKey is MXTUWJNSJLFMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-15(2)8-10-4-5-11-9-16(3)13(7-14)12(11)6-10/h4-6,13H,7-9,14H2,1-3H3.
What are the key properties of [6-[(dimethylamino)methyl]-2-methyl-1,3-dihydroisoindol-1-yl]methanamine?
[6-[(dimethylamino)methyl]-2-methyl-1,3-dihydroisoindol-1-yl]methanamine has a molecular weight of 219.33 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(dimethylamino)methyl]-2-methyl-1,3-dihydroisoindol-1-yl]methanamine is sourced from PubChem (CID 82544636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).