(5-methyl-4,5,6,7-tetrahydro-2H-isoindol-4-yl)methanamine

C10H16N2 — CID 112714275

IUPAC(5-methyl-4,5,6,7-tetrahydro-2H-isoindol-4-yl)methanamine
SMILESCC1CCc2c[nH]cc2C1CN
InChIInChI=1S/C10H16N2/c1-7-2-3-8-5-12-6-10(8)9(7)4-11/h5-7,9,12H,2-4,11H2,1H3
InChIKeyXSFNWUPLRAJKJF-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.64
Rot. Bonds1

About (5-methyl-4,5,6,7-tetrahydro-2H-isoindol-4-yl)methanamine

(5-methyl-4,5,6,7-tetrahydro-2H-isoindol-4-yl)methanamine (PubChem CID 112714275) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is (5-methyl-4,5,6,7-tetrahydro-2H-isoindol-4-yl)methanamine.

Molecular Properties

Compound Name(5-methyl-4,5,6,7-tetrahydro-2H-isoindol-4-yl)methanamine
PubChem CID112714275
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name(5-methyl-4,5,6,7-tetrahydro-2H-isoindol-4-yl)methanamine
SMILESCC1CCc2c[nH]cc2C1CN
InChIInChI=1S/C10H16N2/c1-7-2-3-8-5-12-6-10(8)9(7)4-11/h5-7,9,12H,2-4,11H2,1H3
InChIKeyXSFNWUPLRAJKJF-UHFFFAOYSA-N
XLogP1.64
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-4,5,6,7-tetrahydro-2H-isoindol-4-yl)methanamine?
The IUPAC name of (5-methyl-4,5,6,7-tetrahydro-2H-isoindol-4-yl)methanamine (CID 112714275) is (5-methyl-4,5,6,7-tetrahydro-2H-isoindol-4-yl)methanamine.
What is the SMILES notation for (5-methyl-4,5,6,7-tetrahydro-2H-isoindol-4-yl)methanamine?
The canonical SMILES for (5-methyl-4,5,6,7-tetrahydro-2H-isoindol-4-yl)methanamine is CC1CCc2c[nH]cc2C1CN.
What is the InChIKey of (5-methyl-4,5,6,7-tetrahydro-2H-isoindol-4-yl)methanamine?
The InChIKey is XSFNWUPLRAJKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-7-2-3-8-5-12-6-10(8)9(7)4-11/h5-7,9,12H,2-4,11H2,1H3.
What are the key properties of (5-methyl-4,5,6,7-tetrahydro-2H-isoindol-4-yl)methanamine?
(5-methyl-4,5,6,7-tetrahydro-2H-isoindol-4-yl)methanamine has a molecular weight of 164.25 g/mol, XLogP of 1.64, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-4,5,6,7-tetrahydro-2H-isoindol-4-yl)methanamine is sourced from PubChem (CID 112714275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).