6-methyl-2,3,3a,4,5,6-hexahydro-1H-isoindol-4-amine

C9H16N2 — CID 19069770

IUPAC6-methyl-2,3,3a,4,5,6-hexahydro-1H-isoindol-4-amine
SMILESCC1C=C2CNCC2C(N)C1
InChIInChI=1S/C9H16N2/c1-6-2-7-4-11-5-8(7)9(10)3-6/h2,6,8-9,11H,3-5,10H2,1H3
InChIKeyNEDYZJIYFSRXPV-UHFFFAOYSA-N
MW152.24 g/mol
LogP0.50
Rot. Bonds

About 6-methyl-2,3,3a,4,5,6-hexahydro-1H-isoindol-4-amine

6-methyl-2,3,3a,4,5,6-hexahydro-1H-isoindol-4-amine (PubChem CID 19069770) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 6-methyl-2,3,3a,4,5,6-hexahydro-1H-isoindol-4-amine.

Molecular Properties

Compound Name6-methyl-2,3,3a,4,5,6-hexahydro-1H-isoindol-4-amine
PubChem CID19069770
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name6-methyl-2,3,3a,4,5,6-hexahydro-1H-isoindol-4-amine
SMILESCC1C=C2CNCC2C(N)C1
InChIInChI=1S/C9H16N2/c1-6-2-7-4-11-5-8(7)9(10)3-6/h2,6,8-9,11H,3-5,10H2,1H3
InChIKeyNEDYZJIYFSRXPV-UHFFFAOYSA-N
XLogP0.50
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 ≤ 50.50
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 6-methyl-2,3,3a,4,5,6-hexahydro-1H-isoindol-4-amine?
The IUPAC name of 6-methyl-2,3,3a,4,5,6-hexahydro-1H-isoindol-4-amine (CID 19069770) is 6-methyl-2,3,3a,4,5,6-hexahydro-1H-isoindol-4-amine.
What is the SMILES notation for 6-methyl-2,3,3a,4,5,6-hexahydro-1H-isoindol-4-amine?
The canonical SMILES for 6-methyl-2,3,3a,4,5,6-hexahydro-1H-isoindol-4-amine is CC1C=C2CNCC2C(N)C1.
What is the InChIKey of 6-methyl-2,3,3a,4,5,6-hexahydro-1H-isoindol-4-amine?
The InChIKey is NEDYZJIYFSRXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-6-2-7-4-11-5-8(7)9(10)3-6/h2,6,8-9,11H,3-5,10H2,1H3.
What are the key properties of 6-methyl-2,3,3a,4,5,6-hexahydro-1H-isoindol-4-amine?
6-methyl-2,3,3a,4,5,6-hexahydro-1H-isoindol-4-amine has a molecular weight of 152.24 g/mol, XLogP of 0.50, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2,3,3a,4,5,6-hexahydro-1H-isoindol-4-amine is sourced from PubChem (CID 19069770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).