N-butyl-4,6-dichloro-N-(2,2,6,6-tetramethyl-1-pentoxypiperidin-4-yl)-1,3,5-triazin-2-amine

C21H37Cl2N5O — CID 87307781

About N-butyl-4,6-dichloro-N-(2,2,6,6-tetramethyl-1-pentoxypiperidin-4-yl)-1,3,5-triazin-2-amine

N-butyl-4,6-dichloro-N-(2,2,6,6-tetramethyl-1-pentoxypiperidin-4-yl)-1,3,5-triazin-2-amine (PubChem CID 87307781) has the molecular formula C21H37Cl2N5O and a molecular weight of 446.47 g/mol. Its IUPAC name is N-butyl-4,6-dichloro-N-(2,2,6,6-tetramethyl-1-pentoxypiperidin-4-yl)-1,3,5-triazin-2-amine.

Molecular Properties

• Compound Name: N-butyl-4,6-dichloro-N-(2,2,6,6-tetramethyl-1-pentoxypiperidin-4-yl)-1,3,5-triazin-2-amine
• PubChem CID: 87307781
• Molecular Formula: C21H37Cl2N5O
• Molecular Weight: 446.47 g/mol
• Exact Mass: 445.24
• IUPAC Name: N-butyl-4,6-dichloro-N-(2,2,6,6-tetramethyl-1-pentoxypiperidin-4-yl)-1,3,5-triazin-2-amine
• SMILES: CCCCCON1C(C)(C)CC(N(CCCC)c2nc(Cl)nc(Cl)n2)CC1(C)C
• InChI: InChI=1S/C21H37Cl2N5O/c1-7-9-11-13-29-28-20(3,4)14-16(15-21(28,5)6)27(12-10-8-2)19-25-17(22)24-18(23)26-19/h16H,7-15H2,1-6H3
• InChIKey: XUAJAGZWZJNMGQ-UHFFFAOYSA-N
• XLogP: 5.93
• TPSA: 54.38 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	446.47
LogP ≤ 5	5.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-butyl-4,6-dichloro-N-(2,2,6,6-tetramethyl-1-pentoxypiperidin-4-yl)-1,3,5-triazin-2-amine?

The IUPAC name of N-butyl-4,6-dichloro-N-(2,2,6,6-tetramethyl-1-pentoxypiperidin-4-yl)-1,3,5-triazin-2-amine (CID 87307781) is N-butyl-4,6-dichloro-N-(2,2,6,6-tetramethyl-1-pentoxypiperidin-4-yl)-1,3,5-triazin-2-amine.

What is the SMILES notation for N-butyl-4,6-dichloro-N-(2,2,6,6-tetramethyl-1-pentoxypiperidin-4-yl)-1,3,5-triazin-2-amine?

The canonical SMILES for N-butyl-4,6-dichloro-N-(2,2,6,6-tetramethyl-1-pentoxypiperidin-4-yl)-1,3,5-triazin-2-amine is CCCCCON1C(C)(C)CC(N(CCCC)c2nc(Cl)nc(Cl)n2)CC1(C)C.

What is the InChIKey of N-butyl-4,6-dichloro-N-(2,2,6,6-tetramethyl-1-pentoxypiperidin-4-yl)-1,3,5-triazin-2-amine?

The InChIKey is XUAJAGZWZJNMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37Cl2N5O/c1-7-9-11-13-29-28-20(3,4)14-16(15-21(28,5)6)27(12-10-8-2)19-25-17(22)24-18(23)26-19/h16H,7-15H2,1-6H3.

What are the key properties of N-butyl-4,6-dichloro-N-(2,2,6,6-tetramethyl-1-pentoxypiperidin-4-yl)-1,3,5-triazin-2-amine?

N-butyl-4,6-dichloro-N-(2,2,6,6-tetramethyl-1-pentoxypiperidin-4-yl)-1,3,5-triazin-2-amine has a molecular weight of 446.47 g/mol, XLogP of 5.93, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-butyl-4,6-dichloro-N-(2,2,6,6-tetramethyl-1-pentoxypiperidin-4-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 87307781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).