5-methyl-1,2,3,7a-tetrahydroisoindol-3a-amine

C9H14N2 — CID 22902205

IUPAC5-methyl-1,2,3,7a-tetrahydroisoindol-3a-amine
SMILESCC1=CC2(N)CNCC2C=C1
InChIInChI=1S/C9H14N2/c1-7-2-3-8-5-11-6-9(8,10)4-7/h2-4,8,11H,5-6,10H2,1H3
InChIKeyVKZKMXGJWDHIQP-UHFFFAOYSA-N
MW150.22 g/mol
LogP0.42
Rot. Bonds

About 5-methyl-1,2,3,7a-tetrahydroisoindol-3a-amine

5-methyl-1,2,3,7a-tetrahydroisoindol-3a-amine (PubChem CID 22902205) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 5-methyl-1,2,3,7a-tetrahydroisoindol-3a-amine.

Molecular Properties

Compound Name5-methyl-1,2,3,7a-tetrahydroisoindol-3a-amine
PubChem CID22902205
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name5-methyl-1,2,3,7a-tetrahydroisoindol-3a-amine
SMILESCC1=CC2(N)CNCC2C=C1
InChIInChI=1S/C9H14N2/c1-7-2-3-8-5-11-6-9(8,10)4-7/h2-4,8,11H,5-6,10H2,1H3
InChIKeyVKZKMXGJWDHIQP-UHFFFAOYSA-N
XLogP0.42
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,2,3,7a-tetrahydroisoindol-3a-amine?
The IUPAC name of 5-methyl-1,2,3,7a-tetrahydroisoindol-3a-amine (CID 22902205) is 5-methyl-1,2,3,7a-tetrahydroisoindol-3a-amine.
What is the SMILES notation for 5-methyl-1,2,3,7a-tetrahydroisoindol-3a-amine?
The canonical SMILES for 5-methyl-1,2,3,7a-tetrahydroisoindol-3a-amine is CC1=CC2(N)CNCC2C=C1.
What is the InChIKey of 5-methyl-1,2,3,7a-tetrahydroisoindol-3a-amine?
The InChIKey is VKZKMXGJWDHIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-7-2-3-8-5-11-6-9(8,10)4-7/h2-4,8,11H,5-6,10H2,1H3.
What are the key properties of 5-methyl-1,2,3,7a-tetrahydroisoindol-3a-amine?
5-methyl-1,2,3,7a-tetrahydroisoindol-3a-amine has a molecular weight of 150.22 g/mol, XLogP of 0.42, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,2,3,7a-tetrahydroisoindol-3a-amine is sourced from PubChem (CID 22902205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).