6,7-dimethyl-4-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline

C15H23N — CID 82127242

IUPAC6,7-dimethyl-4-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline
SMILESCc1cc2c(cc1C)C(CC(C)C)CNC2
InChIInChI=1S/C15H23N/c1-10(2)5-13-8-16-9-14-6-11(3)12(4)7-15(13)14/h6-7,10,13,16H,5,8-9H2,1-4H3
InChIKeyNMAYUWSYIWUBNE-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.54
Rot. Bonds2

About 6,7-dimethyl-4-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline

6,7-dimethyl-4-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 82127242) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 6,7-dimethyl-4-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name6,7-dimethyl-4-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID82127242
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name6,7-dimethyl-4-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline
SMILESCc1cc2c(cc1C)C(CC(C)C)CNC2
InChIInChI=1S/C15H23N/c1-10(2)5-13-8-16-9-14-6-11(3)12(4)7-15(13)14/h6-7,10,13,16H,5,8-9H2,1-4H3
InChIKeyNMAYUWSYIWUBNE-UHFFFAOYSA-N
XLogP3.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-4-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 6,7-dimethyl-4-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline (CID 82127242) is 6,7-dimethyl-4-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 6,7-dimethyl-4-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 6,7-dimethyl-4-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline is Cc1cc2c(cc1C)C(CC(C)C)CNC2.
What is the InChIKey of 6,7-dimethyl-4-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is NMAYUWSYIWUBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-10(2)5-13-8-16-9-14-6-11(3)12(4)7-15(13)14/h6-7,10,13,16H,5,8-9H2,1-4H3.
What are the key properties of 6,7-dimethyl-4-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline?
6,7-dimethyl-4-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 217.36 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-4-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 82127242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).