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

C17H27N — CID 64687006

IUPAC4-methyl-3-(2-methylpropyl)-7-propyl-1,2,3,4-tetrahydroisoquinoline
SMILESCCCc1ccc2c(c1)CNC(CC(C)C)C2C
InChIInChI=1S/C17H27N/c1-5-6-14-7-8-16-13(4)17(9-12(2)3)18-11-15(16)10-14/h7-8,10,12-13,17-18H,5-6,9,11H2,1-4H3
InChIKeyOPIOEGUOQYVLRQ-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.26
Rot. Bonds4

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

4-methyl-3-(2-methylpropyl)-7-propyl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 64687006) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 4-methyl-3-(2-methylpropyl)-7-propyl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name4-methyl-3-(2-methylpropyl)-7-propyl-1,2,3,4-tetrahydroisoquinoline
PubChem CID64687006
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name4-methyl-3-(2-methylpropyl)-7-propyl-1,2,3,4-tetrahydroisoquinoline
SMILESCCCc1ccc2c(c1)CNC(CC(C)C)C2C
InChIInChI=1S/C17H27N/c1-5-6-14-7-8-16-13(4)17(9-12(2)3)18-11-15(16)10-14/h7-8,10,12-13,17-18H,5-6,9,11H2,1-4H3
InChIKeyOPIOEGUOQYVLRQ-UHFFFAOYSA-N
XLogP4.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(2-methylpropyl)-7-propyl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 4-methyl-3-(2-methylpropyl)-7-propyl-1,2,3,4-tetrahydroisoquinoline (CID 64687006) is 4-methyl-3-(2-methylpropyl)-7-propyl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 4-methyl-3-(2-methylpropyl)-7-propyl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 4-methyl-3-(2-methylpropyl)-7-propyl-1,2,3,4-tetrahydroisoquinoline is CCCc1ccc2c(c1)CNC(CC(C)C)C2C.
What is the InChIKey of 4-methyl-3-(2-methylpropyl)-7-propyl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is OPIOEGUOQYVLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-5-6-14-7-8-16-13(4)17(9-12(2)3)18-11-15(16)10-14/h7-8,10,12-13,17-18H,5-6,9,11H2,1-4H3.
What are the key properties of 4-methyl-3-(2-methylpropyl)-7-propyl-1,2,3,4-tetrahydroisoquinoline?
4-methyl-3-(2-methylpropyl)-7-propyl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 245.41 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(2-methylpropyl)-7-propyl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 64687006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).