N-[(2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)methyl]-1-pyrazin-2-ylpropan-2-amine

C18H24N4 — CID 138053102

IUPACN-[(2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)methyl]-1-pyrazin-2-ylpropan-2-amine
SMILESCc1cc(CNC(C)Cc2cnccn2)c2c(n1)CCCC2
InChIInChI=1S/C18H24N4/c1-13(10-16-12-19-7-8-20-16)21-11-15-9-14(2)22-18-6-4-3-5-17(15)18/h7-9,12-13,21H,3-6,10-11H2,1-2H3
InChIKeyWENCILBJMGUXBL-UHFFFAOYSA-N
MW296.42 g/mol
LogP2.78
Rot. Bonds5

About N-[(2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)methyl]-1-pyrazin-2-ylpropan-2-amine

N-[(2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)methyl]-1-pyrazin-2-ylpropan-2-amine (PubChem CID 138053102) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is N-[(2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)methyl]-1-pyrazin-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[(2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)methyl]-1-pyrazin-2-ylpropan-2-amine
PubChem CID138053102
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC NameN-[(2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)methyl]-1-pyrazin-2-ylpropan-2-amine
SMILESCc1cc(CNC(C)Cc2cnccn2)c2c(n1)CCCC2
InChIInChI=1S/C18H24N4/c1-13(10-16-12-19-7-8-20-16)21-11-15-9-14(2)22-18-6-4-3-5-17(15)18/h7-9,12-13,21H,3-6,10-11H2,1-2H3
InChIKeyWENCILBJMGUXBL-UHFFFAOYSA-N
XLogP2.78
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)methyl]-1-pyrazin-2-ylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)methyl]-1-pyrazin-2-ylpropan-2-amine?
The IUPAC name of N-[(2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)methyl]-1-pyrazin-2-ylpropan-2-amine (CID 138053102) is N-[(2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)methyl]-1-pyrazin-2-ylpropan-2-amine.
What is the SMILES notation for N-[(2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)methyl]-1-pyrazin-2-ylpropan-2-amine?
The canonical SMILES for N-[(2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)methyl]-1-pyrazin-2-ylpropan-2-amine is Cc1cc(CNC(C)Cc2cnccn2)c2c(n1)CCCC2.
What is the InChIKey of N-[(2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)methyl]-1-pyrazin-2-ylpropan-2-amine?
The InChIKey is WENCILBJMGUXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4/c1-13(10-16-12-19-7-8-20-16)21-11-15-9-14(2)22-18-6-4-3-5-17(15)18/h7-9,12-13,21H,3-6,10-11H2,1-2H3.
What are the key properties of N-[(2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)methyl]-1-pyrazin-2-ylpropan-2-amine?
N-[(2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)methyl]-1-pyrazin-2-ylpropan-2-amine has a molecular weight of 296.42 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)methyl]-1-pyrazin-2-ylpropan-2-amine is sourced from PubChem (CID 138053102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).