1-butyl-6-chloro-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2H-1,3,5-triazin-2-amine

C17H32ClN5 — CID 67651059

IUPAC1-butyl-6-chloro-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2H-1,3,5-triazin-2-amine
SMILESCCCCN1C(Cl)=NC=NC1NC1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C17H32ClN5/c1-7-8-9-23-14(18)19-12-20-15(23)21-13-10-16(2,3)22(6)17(4,5)11-13/h12-13,15,21H,7-11H2,1-6H3
InChIKeyVRDAVEJHUKCOTN-UHFFFAOYSA-N
MW341.93 g/mol
LogP3.25
Rot. Bonds5

About 1-butyl-6-chloro-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2H-1,3,5-triazin-2-amine

1-butyl-6-chloro-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2H-1,3,5-triazin-2-amine (PubChem CID 67651059) has the molecular formula C17H32ClN5 and a molecular weight of 341.93 g/mol. Its IUPAC name is 1-butyl-6-chloro-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2H-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name1-butyl-6-chloro-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2H-1,3,5-triazin-2-amine
PubChem CID67651059
Molecular FormulaC17H32ClN5
Molecular Weight341.93 g/mol
Exact Mass341.23
IUPAC Name1-butyl-6-chloro-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2H-1,3,5-triazin-2-amine
SMILESCCCCN1C(Cl)=NC=NC1NC1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C17H32ClN5/c1-7-8-9-23-14(18)19-12-20-15(23)21-13-10-16(2,3)22(6)17(4,5)11-13/h12-13,15,21H,7-11H2,1-6H3
InChIKeyVRDAVEJHUKCOTN-UHFFFAOYSA-N
XLogP3.25
TPSA43.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.93
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-6-chloro-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2H-1,3,5-triazin-2-amine?
The IUPAC name of 1-butyl-6-chloro-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2H-1,3,5-triazin-2-amine (CID 67651059) is 1-butyl-6-chloro-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2H-1,3,5-triazin-2-amine.
What is the SMILES notation for 1-butyl-6-chloro-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2H-1,3,5-triazin-2-amine?
The canonical SMILES for 1-butyl-6-chloro-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2H-1,3,5-triazin-2-amine is CCCCN1C(Cl)=NC=NC1NC1CC(C)(C)N(C)C(C)(C)C1.
What is the InChIKey of 1-butyl-6-chloro-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2H-1,3,5-triazin-2-amine?
The InChIKey is VRDAVEJHUKCOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32ClN5/c1-7-8-9-23-14(18)19-12-20-15(23)21-13-10-16(2,3)22(6)17(4,5)11-13/h12-13,15,21H,7-11H2,1-6H3.
What are the key properties of 1-butyl-6-chloro-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2H-1,3,5-triazin-2-amine?
1-butyl-6-chloro-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2H-1,3,5-triazin-2-amine has a molecular weight of 341.93 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-6-chloro-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2H-1,3,5-triazin-2-amine is sourced from PubChem (CID 67651059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).