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

C15H17N3 — CID 80554705

IUPACN-(4-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinolin-5-amine
SMILESCc1ccnc(Nc2cccc3c2CCNC3)c1
InChIInChI=1S/C15H17N3/c1-11-5-8-17-15(9-11)18-14-4-2-3-12-10-16-7-6-13(12)14/h2-5,8-9,16H,6-7,10H2,1H3,(H,17,18)
InChIKeyOOLIYMMLKBDGHU-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.78
Rot. Bonds2

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

N-(4-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinolin-5-amine (PubChem CID 80554705) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-(4-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinolin-5-amine.

Molecular Properties

Compound NameN-(4-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinolin-5-amine
PubChem CID80554705
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC NameN-(4-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinolin-5-amine
SMILESCc1ccnc(Nc2cccc3c2CCNC3)c1
InChIInChI=1S/C15H17N3/c1-11-5-8-17-15(9-11)18-14-4-2-3-12-10-16-7-6-13(12)14/h2-5,8-9,16H,6-7,10H2,1H3,(H,17,18)
InChIKeyOOLIYMMLKBDGHU-UHFFFAOYSA-N
XLogP2.78
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinolin-5-amine?
The IUPAC name of N-(4-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinolin-5-amine (CID 80554705) is N-(4-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinolin-5-amine.
What is the SMILES notation for N-(4-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinolin-5-amine?
The canonical SMILES for N-(4-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinolin-5-amine is Cc1ccnc(Nc2cccc3c2CCNC3)c1.
What is the InChIKey of N-(4-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinolin-5-amine?
The InChIKey is OOLIYMMLKBDGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c1-11-5-8-17-15(9-11)18-14-4-2-3-12-10-16-7-6-13(12)14/h2-5,8-9,16H,6-7,10H2,1H3,(H,17,18).
What are the key properties of N-(4-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinolin-5-amine?
N-(4-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinolin-5-amine has a molecular weight of 239.32 g/mol, XLogP of 2.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinolin-5-amine is sourced from PubChem (CID 80554705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).