7a-(methoxymethyl)-3,3a,4,5,6,7-hexahydro-1H-isoindol-2-amine

C10H20N2O — CID 121204312

IUPAC7a-(methoxymethyl)-3,3a,4,5,6,7-hexahydro-1H-isoindol-2-amine
SMILESCOCC12CCCCC1CN(N)C2
InChIInChI=1S/C10H20N2O/c1-13-8-10-5-3-2-4-9(10)6-12(11)7-10/h9H,2-8,11H2,1H3
InChIKeyLYSSBTVRCNMKOH-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.00
Rot. Bonds2

About 7a-(methoxymethyl)-3,3a,4,5,6,7-hexahydro-1H-isoindol-2-amine

7a-(methoxymethyl)-3,3a,4,5,6,7-hexahydro-1H-isoindol-2-amine (PubChem CID 121204312) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 7a-(methoxymethyl)-3,3a,4,5,6,7-hexahydro-1H-isoindol-2-amine.

Molecular Properties

Compound Name7a-(methoxymethyl)-3,3a,4,5,6,7-hexahydro-1H-isoindol-2-amine
PubChem CID121204312
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name7a-(methoxymethyl)-3,3a,4,5,6,7-hexahydro-1H-isoindol-2-amine
SMILESCOCC12CCCCC1CN(N)C2
InChIInChI=1S/C10H20N2O/c1-13-8-10-5-3-2-4-9(10)6-12(11)7-10/h9H,2-8,11H2,1H3
InChIKeyLYSSBTVRCNMKOH-UHFFFAOYSA-N
XLogP1.00
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7a-(methoxymethyl)-3,3a,4,5,6,7-hexahydro-1H-isoindol-2-amine?
The IUPAC name of 7a-(methoxymethyl)-3,3a,4,5,6,7-hexahydro-1H-isoindol-2-amine (CID 121204312) is 7a-(methoxymethyl)-3,3a,4,5,6,7-hexahydro-1H-isoindol-2-amine.
What is the SMILES notation for 7a-(methoxymethyl)-3,3a,4,5,6,7-hexahydro-1H-isoindol-2-amine?
The canonical SMILES for 7a-(methoxymethyl)-3,3a,4,5,6,7-hexahydro-1H-isoindol-2-amine is COCC12CCCCC1CN(N)C2.
What is the InChIKey of 7a-(methoxymethyl)-3,3a,4,5,6,7-hexahydro-1H-isoindol-2-amine?
The InChIKey is LYSSBTVRCNMKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-13-8-10-5-3-2-4-9(10)6-12(11)7-10/h9H,2-8,11H2,1H3.
What are the key properties of 7a-(methoxymethyl)-3,3a,4,5,6,7-hexahydro-1H-isoindol-2-amine?
7a-(methoxymethyl)-3,3a,4,5,6,7-hexahydro-1H-isoindol-2-amine has a molecular weight of 184.28 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7a-(methoxymethyl)-3,3a,4,5,6,7-hexahydro-1H-isoindol-2-amine is sourced from PubChem (CID 121204312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).