1,6-dimethyl-1,2,3,4-tetrahydroisoquinoline

C11H15N — CID 21476490

IUPAC1,6-dimethyl-1,2,3,4-tetrahydroisoquinoline
SMILESCc1ccc2c(c1)CCNC2C
InChIInChI=1S/C11H15N/c1-8-3-4-11-9(2)12-6-5-10(11)7-8/h3-4,7,9,12H,5-6H2,1-2H3
InChIKeyYTEAMSMKABMLJD-UHFFFAOYSA-N
MW161.25 g/mol
LogP2.20
Rot. Bonds

About 1,6-dimethyl-1,2,3,4-tetrahydroisoquinoline

1,6-dimethyl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 21476490) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is 1,6-dimethyl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name1,6-dimethyl-1,2,3,4-tetrahydroisoquinoline
PubChem CID21476490
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name1,6-dimethyl-1,2,3,4-tetrahydroisoquinoline
SMILESCc1ccc2c(c1)CCNC2C
InChIInChI=1S/C11H15N/c1-8-3-4-11-9(2)12-6-5-10(11)7-8/h3-4,7,9,12H,5-6H2,1-2H3
InChIKeyYTEAMSMKABMLJD-UHFFFAOYSA-N
XLogP2.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 1,6-dimethyl-1,2,3,4-tetrahydroisoquinoline (CID 21476490) is 1,6-dimethyl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 1,6-dimethyl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 1,6-dimethyl-1,2,3,4-tetrahydroisoquinoline is Cc1ccc2c(c1)CCNC2C.
What is the InChIKey of 1,6-dimethyl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is YTEAMSMKABMLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N/c1-8-3-4-11-9(2)12-6-5-10(11)7-8/h3-4,7,9,12H,5-6H2,1-2H3.
What are the key properties of 1,6-dimethyl-1,2,3,4-tetrahydroisoquinoline?
1,6-dimethyl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 161.25 g/mol, XLogP of 2.20, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 21476490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).