4,5,8-trimethyl-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline

C15H23N — CID 64686783

IUPAC4,5,8-trimethyl-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline
SMILESCc1ccc(C)c2c1C(C)CNC2C(C)C
InChIInChI=1S/C15H23N/c1-9(2)15-14-11(4)7-6-10(3)13(14)12(5)8-16-15/h6-7,9,12,15-16H,8H2,1-5H3
InChIKeyVSLOBIAGKPFBJV-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.71
Rot. Bonds1

About 4,5,8-trimethyl-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline

4,5,8-trimethyl-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 64686783) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 4,5,8-trimethyl-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name4,5,8-trimethyl-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline
PubChem CID64686783
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name4,5,8-trimethyl-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline
SMILESCc1ccc(C)c2c1C(C)CNC2C(C)C
InChIInChI=1S/C15H23N/c1-9(2)15-14-11(4)7-6-10(3)13(14)12(5)8-16-15/h6-7,9,12,15-16H,8H2,1-5H3
InChIKeyVSLOBIAGKPFBJV-UHFFFAOYSA-N
XLogP3.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,5,8-trimethyl-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 4,5,8-trimethyl-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline (CID 64686783) is 4,5,8-trimethyl-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 4,5,8-trimethyl-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 4,5,8-trimethyl-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline is Cc1ccc(C)c2c1C(C)CNC2C(C)C.
What is the InChIKey of 4,5,8-trimethyl-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is VSLOBIAGKPFBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-9(2)15-14-11(4)7-6-10(3)13(14)12(5)8-16-15/h6-7,9,12,15-16H,8H2,1-5H3.
What are the key properties of 4,5,8-trimethyl-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline?
4,5,8-trimethyl-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 217.36 g/mol, XLogP of 3.71, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,8-trimethyl-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 64686783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).