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

C12H22N2 — CID 22867704

IUPAC(8aS)-5,5,8a-trimethyl-1,2,3,6,7,8-hexahydroisoquinolin-6-amine
SMILESCC1(C)C2=CCNC[C@@]2(C)CCC1N
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/t10?,12-/m1/s1
InChIKeyVILNQVBYFMKJMT-TVKKRMFBSA-N
MW194.32 g/mol
LogP1.67
Rot. Bonds

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

(8aS)-5,5,8a-trimethyl-1,2,3,6,7,8-hexahydroisoquinolin-6-amine (PubChem CID 22867704) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is (8aS)-5,5,8a-trimethyl-1,2,3,6,7,8-hexahydroisoquinolin-6-amine.

Molecular Properties

Compound Name(8aS)-5,5,8a-trimethyl-1,2,3,6,7,8-hexahydroisoquinolin-6-amine
PubChem CID22867704
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name(8aS)-5,5,8a-trimethyl-1,2,3,6,7,8-hexahydroisoquinolin-6-amine
SMILESCC1(C)C2=CCNC[C@@]2(C)CCC1N
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/t10?,12-/m1/s1
InChIKeyVILNQVBYFMKJMT-TVKKRMFBSA-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 (8aS)-5,5,8a-trimethyl-1,2,3,6,7,8-hexahydroisoquinolin-6-amine?
The IUPAC name of (8aS)-5,5,8a-trimethyl-1,2,3,6,7,8-hexahydroisoquinolin-6-amine (CID 22867704) is (8aS)-5,5,8a-trimethyl-1,2,3,6,7,8-hexahydroisoquinolin-6-amine.
What is the SMILES notation for (8aS)-5,5,8a-trimethyl-1,2,3,6,7,8-hexahydroisoquinolin-6-amine?
The canonical SMILES for (8aS)-5,5,8a-trimethyl-1,2,3,6,7,8-hexahydroisoquinolin-6-amine is CC1(C)C2=CCNC[C@@]2(C)CCC1N.
What is the InChIKey of (8aS)-5,5,8a-trimethyl-1,2,3,6,7,8-hexahydroisoquinolin-6-amine?
The InChIKey is VILNQVBYFMKJMT-TVKKRMFBSA-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/t10?,12-/m1/s1.
What are the key properties of (8aS)-5,5,8a-trimethyl-1,2,3,6,7,8-hexahydroisoquinolin-6-amine?
(8aS)-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 (8aS)-5,5,8a-trimethyl-1,2,3,6,7,8-hexahydroisoquinolin-6-amine is sourced from PubChem (CID 22867704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).