5,6,7-trimethyl-1,2,3,4-tetrahydroisoquinoline

C12H17N — CID 137470478

IUPAC5,6,7-trimethyl-1,2,3,4-tetrahydroisoquinoline
SMILESCc1cc2c(c(C)c1C)CCNC2
InChIInChI=1S/C12H17N/c1-8-6-11-7-13-5-4-12(11)10(3)9(8)2/h6,13H,4-5,7H2,1-3H3
InChIKeyZJQJHKBLOBRWGR-UHFFFAOYSA-N
MW175.27 g/mol
LogP2.26
Rot. Bonds

About 5,6,7-trimethyl-1,2,3,4-tetrahydroisoquinoline

5,6,7-trimethyl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 137470478) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is 5,6,7-trimethyl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name5,6,7-trimethyl-1,2,3,4-tetrahydroisoquinoline
PubChem CID137470478
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC Name5,6,7-trimethyl-1,2,3,4-tetrahydroisoquinoline
SMILESCc1cc2c(c(C)c1C)CCNC2
InChIInChI=1S/C12H17N/c1-8-6-11-7-13-5-4-12(11)10(3)9(8)2/h6,13H,4-5,7H2,1-3H3
InChIKeyZJQJHKBLOBRWGR-UHFFFAOYSA-N
XLogP2.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,6,7-trimethyl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 5,6,7-trimethyl-1,2,3,4-tetrahydroisoquinoline (CID 137470478) is 5,6,7-trimethyl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 5,6,7-trimethyl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 5,6,7-trimethyl-1,2,3,4-tetrahydroisoquinoline is Cc1cc2c(c(C)c1C)CCNC2.
What is the InChIKey of 5,6,7-trimethyl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is ZJQJHKBLOBRWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-8-6-11-7-13-5-4-12(11)10(3)9(8)2/h6,13H,4-5,7H2,1-3H3.
What are the key properties of 5,6,7-trimethyl-1,2,3,4-tetrahydroisoquinoline?
5,6,7-trimethyl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 175.27 g/mol, XLogP of 2.26, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7-trimethyl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 137470478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).