1-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline

C13H19N — CID 13049800

IUPAC1-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline
SMILESCC(C)CC1NCCc2ccccc21
InChIInChI=1S/C13H19N/c1-10(2)9-13-12-6-4-3-5-11(12)7-8-14-13/h3-6,10,13-14H,7-9H2,1-2H3
InChIKeyLCDYBYNFNGTEKK-UHFFFAOYSA-N
MW189.30 g/mol
LogP2.92
Rot. Bonds2

About 1-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline

1-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 13049800) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 1-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name1-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID13049800
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name1-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline
SMILESCC(C)CC1NCCc2ccccc21
InChIInChI=1S/C13H19N/c1-10(2)9-13-12-6-4-3-5-11(12)7-8-14-13/h3-6,10,13-14H,7-9H2,1-2H3
InChIKeyLCDYBYNFNGTEKK-UHFFFAOYSA-N
XLogP2.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 1-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline (CID 13049800) is 1-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 1-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 1-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline is CC(C)CC1NCCc2ccccc21.
What is the InChIKey of 1-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is LCDYBYNFNGTEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-10(2)9-13-12-6-4-3-5-11(12)7-8-14-13/h3-6,10,13-14H,7-9H2,1-2H3.
What are the key properties of 1-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline?
1-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 189.30 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 13049800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).