4-methyl-3,7-bis(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline

C18H29N — CID 64689592

IUPAC4-methyl-3,7-bis(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline
SMILESCC(C)Cc1ccc2c(c1)CNC(CC(C)C)C2C
InChIInChI=1S/C18H29N/c1-12(2)8-15-6-7-17-14(5)18(9-13(3)4)19-11-16(17)10-15/h6-7,10,12-14,18-19H,8-9,11H2,1-5H3
InChIKeyIYDFCTWIFCJXCZ-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.51
Rot. Bonds4

About 4-methyl-3,7-bis(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline

4-methyl-3,7-bis(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 64689592) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 4-methyl-3,7-bis(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name4-methyl-3,7-bis(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID64689592
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name4-methyl-3,7-bis(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline
SMILESCC(C)Cc1ccc2c(c1)CNC(CC(C)C)C2C
InChIInChI=1S/C18H29N/c1-12(2)8-15-6-7-17-14(5)18(9-13(3)4)19-11-16(17)10-15/h6-7,10,12-14,18-19H,8-9,11H2,1-5H3
InChIKeyIYDFCTWIFCJXCZ-UHFFFAOYSA-N
XLogP4.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3,7-bis(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 4-methyl-3,7-bis(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline (CID 64689592) is 4-methyl-3,7-bis(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 4-methyl-3,7-bis(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 4-methyl-3,7-bis(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline is CC(C)Cc1ccc2c(c1)CNC(CC(C)C)C2C.
What is the InChIKey of 4-methyl-3,7-bis(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is IYDFCTWIFCJXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-12(2)8-15-6-7-17-14(5)18(9-13(3)4)19-11-16(17)10-15/h6-7,10,12-14,18-19H,8-9,11H2,1-5H3.
What are the key properties of 4-methyl-3,7-bis(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline?
4-methyl-3,7-bis(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 259.44 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3,7-bis(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 64689592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).