5,5,8a-trimethyl-1,2,3,6,7,8-hexahydroisoquinolin-6-amine

C12H22N2 — CID 22635658

IUPAC5,5,8a-trimethyl-1,2,3,6,7,8-hexahydroisoquinolin-6-amine
SMILESCC12CCC(N)C(C)(C)C1=CCNC2
InChIInChI=1S/C12H22N2/c1-11(2)9-5-7-14-8-12(9,3)6-4-10(11)13/h5,10,14H,4,6-8,13H2,1-3H3
InChIKeyVILNQVBYFMKJMT-UHFFFAOYSA-N
MW194.32 g/mol
LogP1.67
Rot. Bonds

About 5,5,8a-trimethyl-1,2,3,6,7,8-hexahydroisoquinolin-6-amine

5,5,8a-trimethyl-1,2,3,6,7,8-hexahydroisoquinolin-6-amine (PubChem CID 22635658) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 5,5,8a-trimethyl-1,2,3,6,7,8-hexahydroisoquinolin-6-amine.

Molecular Properties

Compound Name5,5,8a-trimethyl-1,2,3,6,7,8-hexahydroisoquinolin-6-amine
PubChem CID22635658
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name5,5,8a-trimethyl-1,2,3,6,7,8-hexahydroisoquinolin-6-amine
SMILESCC12CCC(N)C(C)(C)C1=CCNC2
InChIInChI=1S/C12H22N2/c1-11(2)9-5-7-14-8-12(9,3)6-4-10(11)13/h5,10,14H,4,6-8,13H2,1-3H3
InChIKeyVILNQVBYFMKJMT-UHFFFAOYSA-N
XLogP1.67
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 51.67
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 5,5,8a-trimethyl-1,2,3,6,7,8-hexahydroisoquinolin-6-amine?
The IUPAC name of 5,5,8a-trimethyl-1,2,3,6,7,8-hexahydroisoquinolin-6-amine (CID 22635658) is 5,5,8a-trimethyl-1,2,3,6,7,8-hexahydroisoquinolin-6-amine.
What is the SMILES notation for 5,5,8a-trimethyl-1,2,3,6,7,8-hexahydroisoquinolin-6-amine?
The canonical SMILES for 5,5,8a-trimethyl-1,2,3,6,7,8-hexahydroisoquinolin-6-amine is CC12CCC(N)C(C)(C)C1=CCNC2.
What is the InChIKey of 5,5,8a-trimethyl-1,2,3,6,7,8-hexahydroisoquinolin-6-amine?
The InChIKey is VILNQVBYFMKJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-11(2)9-5-7-14-8-12(9,3)6-4-10(11)13/h5,10,14H,4,6-8,13H2,1-3H3.
What are the key properties of 5,5,8a-trimethyl-1,2,3,6,7,8-hexahydroisoquinolin-6-amine?
5,5,8a-trimethyl-1,2,3,6,7,8-hexahydroisoquinolin-6-amine has a molecular weight of 194.32 g/mol, XLogP of 1.67, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,8a-trimethyl-1,2,3,6,7,8-hexahydroisoquinolin-6-amine is sourced from PubChem (CID 22635658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).