N-[(6-methyl-2-pyridinyl)methyl]-N-[[3-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine

C30H33N5 — CID 22256428

About N-[(6-methyl-2-pyridinyl)methyl]-N-[[3-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine

N-[(6-methyl-2-pyridinyl)methyl]-N-[[3-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 22256428) has the molecular formula C30H33N5 and a molecular weight of 463.63 g/mol. Its IUPAC name is N-[(6-methyl-2-pyridinyl)methyl]-N-[[3-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

• Compound Name: N-[(6-methyl-2-pyridinyl)methyl]-N-[[3-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
• PubChem CID: 22256428
• Molecular Formula: C30H33N5
• Molecular Weight: 463.63 g/mol
• Exact Mass: 463.27
• IUPAC Name: N-[(6-methyl-2-pyridinyl)methyl]-N-[[3-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
• SMILES: Cc1cccc(CN(Cc2cccc(CNCc3ccccn3)c2)C2CCCc3cccnc32)n1
• InChI: InChI=1S/C30H33N5/c1-23-8-4-14-28(34-23)22-35(29-15-6-11-26-12-7-17-33-30(26)29)21-25-10-5-9-24(18-25)19-31-20-27-13-2-3-16-32-27/h2-5,7-10,12-14,16-18,29,31H,6,11,15,19-22H2,1H3
• InChIKey: INCIOLHGDZZBAZ-UHFFFAOYSA-N
• XLogP: 5.55
• TPSA: 53.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	463.63
LogP ≤ 5	5.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-2-pyridinyl)methyl]-N-[[3-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?

The IUPAC name of N-[(6-methyl-2-pyridinyl)methyl]-N-[[3-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine (CID 22256428) is N-[(6-methyl-2-pyridinyl)methyl]-N-[[3-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine.

What is the SMILES notation for N-[(6-methyl-2-pyridinyl)methyl]-N-[[3-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?

The canonical SMILES for N-[(6-methyl-2-pyridinyl)methyl]-N-[[3-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine is Cc1cccc(CN(Cc2cccc(CNCc3ccccn3)c2)C2CCCc3cccnc32)n1.

What is the InChIKey of N-[(6-methyl-2-pyridinyl)methyl]-N-[[3-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?

The InChIKey is INCIOLHGDZZBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N5/c1-23-8-4-14-28(34-23)22-35(29-15-6-11-26-12-7-17-33-30(26)29)21-25-10-5-9-24(18-25)19-31-20-27-13-2-3-16-32-27/h2-5,7-10,12-14,16-18,29,31H,6,11,15,19-22H2,1H3.

What are the key properties of N-[(6-methyl-2-pyridinyl)methyl]-N-[[3-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?

N-[(6-methyl-2-pyridinyl)methyl]-N-[[3-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 463.63 g/mol, XLogP of 5.55, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-methyl-2-pyridinyl)methyl]-N-[[3-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 22256428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).