7-methyl-2,3,3a,4,7,7a-hexahydro-1H-isoindol-4-amine

C9H16N2 — CID 15283251

IUPAC7-methyl-2,3,3a,4,7,7a-hexahydro-1H-isoindol-4-amine
SMILESCC1C=CC(N)C2CNCC12
InChIInChI=1S/C9H16N2/c1-6-2-3-9(10)8-5-11-4-7(6)8/h2-3,6-9,11H,4-5,10H2,1H3
InChIKeyWZLAZGPMHURVPH-UHFFFAOYSA-N
MW152.24 g/mol
LogP0.36
Rot. Bonds

About 7-methyl-2,3,3a,4,7,7a-hexahydro-1H-isoindol-4-amine

7-methyl-2,3,3a,4,7,7a-hexahydro-1H-isoindol-4-amine (PubChem CID 15283251) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 7-methyl-2,3,3a,4,7,7a-hexahydro-1H-isoindol-4-amine.

Molecular Properties

Compound Name7-methyl-2,3,3a,4,7,7a-hexahydro-1H-isoindol-4-amine
PubChem CID15283251
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name7-methyl-2,3,3a,4,7,7a-hexahydro-1H-isoindol-4-amine
SMILESCC1C=CC(N)C2CNCC12
InChIInChI=1S/C9H16N2/c1-6-2-3-9(10)8-5-11-4-7(6)8/h2-3,6-9,11H,4-5,10H2,1H3
InChIKeyWZLAZGPMHURVPH-UHFFFAOYSA-N
XLogP0.36
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2,3,3a,4,7,7a-hexahydro-1H-isoindol-4-amine?
The IUPAC name of 7-methyl-2,3,3a,4,7,7a-hexahydro-1H-isoindol-4-amine (CID 15283251) is 7-methyl-2,3,3a,4,7,7a-hexahydro-1H-isoindol-4-amine.
What is the SMILES notation for 7-methyl-2,3,3a,4,7,7a-hexahydro-1H-isoindol-4-amine?
The canonical SMILES for 7-methyl-2,3,3a,4,7,7a-hexahydro-1H-isoindol-4-amine is CC1C=CC(N)C2CNCC12.
What is the InChIKey of 7-methyl-2,3,3a,4,7,7a-hexahydro-1H-isoindol-4-amine?
The InChIKey is WZLAZGPMHURVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-6-2-3-9(10)8-5-11-4-7(6)8/h2-3,6-9,11H,4-5,10H2,1H3.
What are the key properties of 7-methyl-2,3,3a,4,7,7a-hexahydro-1H-isoindol-4-amine?
7-methyl-2,3,3a,4,7,7a-hexahydro-1H-isoindol-4-amine has a molecular weight of 152.24 g/mol, XLogP of 0.36, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2,3,3a,4,7,7a-hexahydro-1H-isoindol-4-amine is sourced from PubChem (CID 15283251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).