N-methyl-N-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroisoquinolin-5-amine

C15H24N2 — CID 81215402

IUPACN-methyl-N-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroisoquinolin-5-amine
SMILESCCC(C)(C)N(C)c1cccc2c1CCNC2
InChIInChI=1S/C15H24N2/c1-5-15(2,3)17(4)14-8-6-7-12-11-16-10-9-13(12)14/h6-8,16H,5,9-11H2,1-4H3
InChIKeyXFEBMPXLERFBBY-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.96
Rot. Bonds3

About N-methyl-N-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroisoquinolin-5-amine

N-methyl-N-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroisoquinolin-5-amine (PubChem CID 81215402) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N-methyl-N-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroisoquinolin-5-amine.

Molecular Properties

Compound NameN-methyl-N-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroisoquinolin-5-amine
PubChem CID81215402
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC NameN-methyl-N-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroisoquinolin-5-amine
SMILESCCC(C)(C)N(C)c1cccc2c1CCNC2
InChIInChI=1S/C15H24N2/c1-5-15(2,3)17(4)14-8-6-7-12-11-16-10-9-13(12)14/h6-8,16H,5,9-11H2,1-4H3
InChIKeyXFEBMPXLERFBBY-UHFFFAOYSA-N
XLogP2.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroisoquinolin-5-amine?
The IUPAC name of N-methyl-N-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroisoquinolin-5-amine (CID 81215402) is N-methyl-N-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroisoquinolin-5-amine.
What is the SMILES notation for N-methyl-N-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroisoquinolin-5-amine?
The canonical SMILES for N-methyl-N-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroisoquinolin-5-amine is CCC(C)(C)N(C)c1cccc2c1CCNC2.
What is the InChIKey of N-methyl-N-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroisoquinolin-5-amine?
The InChIKey is XFEBMPXLERFBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-5-15(2,3)17(4)14-8-6-7-12-11-16-10-9-13(12)14/h6-8,16H,5,9-11H2,1-4H3.
What are the key properties of N-methyl-N-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroisoquinolin-5-amine?
N-methyl-N-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroisoquinolin-5-amine has a molecular weight of 232.37 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroisoquinolin-5-amine is sourced from PubChem (CID 81215402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).