2-methyl-3,7a-dihydro-1H-isoindol-3a-amine

C9H14N2 — CID 69172430

IUPAC2-methyl-3,7a-dihydro-1H-isoindol-3a-amine
SMILESCN1CC2C=CC=CC2(N)C1
InChIInChI=1S/C9H14N2/c1-11-6-8-4-2-3-5-9(8,10)7-11/h2-5,8H,6-7,10H2,1H3
InChIKeyMVVJPZWIPRDETG-UHFFFAOYSA-N
MW150.22 g/mol
LogP0.37
Rot. Bonds

About 2-methyl-3,7a-dihydro-1H-isoindol-3a-amine

2-methyl-3,7a-dihydro-1H-isoindol-3a-amine (PubChem CID 69172430) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 2-methyl-3,7a-dihydro-1H-isoindol-3a-amine.

Molecular Properties

Compound Name2-methyl-3,7a-dihydro-1H-isoindol-3a-amine
PubChem CID69172430
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name2-methyl-3,7a-dihydro-1H-isoindol-3a-amine
SMILESCN1CC2C=CC=CC2(N)C1
InChIInChI=1S/C9H14N2/c1-11-6-8-4-2-3-5-9(8,10)7-11/h2-5,8H,6-7,10H2,1H3
InChIKeyMVVJPZWIPRDETG-UHFFFAOYSA-N
XLogP0.37
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3,7a-dihydro-1H-isoindol-3a-amine?
The IUPAC name of 2-methyl-3,7a-dihydro-1H-isoindol-3a-amine (CID 69172430) is 2-methyl-3,7a-dihydro-1H-isoindol-3a-amine.
What is the SMILES notation for 2-methyl-3,7a-dihydro-1H-isoindol-3a-amine?
The canonical SMILES for 2-methyl-3,7a-dihydro-1H-isoindol-3a-amine is CN1CC2C=CC=CC2(N)C1.
What is the InChIKey of 2-methyl-3,7a-dihydro-1H-isoindol-3a-amine?
The InChIKey is MVVJPZWIPRDETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-11-6-8-4-2-3-5-9(8,10)7-11/h2-5,8H,6-7,10H2,1H3.
What are the key properties of 2-methyl-3,7a-dihydro-1H-isoindol-3a-amine?
2-methyl-3,7a-dihydro-1H-isoindol-3a-amine has a molecular weight of 150.22 g/mol, XLogP of 0.37, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3,7a-dihydro-1H-isoindol-3a-amine is sourced from PubChem (CID 69172430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).