4,6-bis(1-methylpiperidin-1-ium-1-yl)-N,N-di(propan-2-yl)-1,3,5-triazin-2-amine

C21H40N6+2 — CID 162403944

IUPAC4,6-bis(1-methylpiperidin-1-ium-1-yl)-N,N-di(propan-2-yl)-1,3,5-triazin-2-amine
SMILESCC(C)N(c1nc([N+]2(C)CCCCC2)nc([N+]2(C)CCCCC2)n1)C(C)C
InChIInChI=1S/C21H40N6/c1-17(2)25(18(3)4)19-22-20(26(5)13-9-7-10-14-26)24-21(23-19)27(6)15-11-8-12-16-27/h17-18H,7-16H2,1-6H3/q+2
InChIKeyYHUOGRWETOOHLN-UHFFFAOYSA-N
MW376.59 g/mol
LogP3.74
Rot. Bonds5

About 4,6-bis(1-methylpiperidin-1-ium-1-yl)-N,N-di(propan-2-yl)-1,3,5-triazin-2-amine

4,6-bis(1-methylpiperidin-1-ium-1-yl)-N,N-di(propan-2-yl)-1,3,5-triazin-2-amine (PubChem CID 162403944) has the molecular formula C21H40N6+2 and a molecular weight of 376.59 g/mol. Its IUPAC name is 4,6-bis(1-methylpiperidin-1-ium-1-yl)-N,N-di(propan-2-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-bis(1-methylpiperidin-1-ium-1-yl)-N,N-di(propan-2-yl)-1,3,5-triazin-2-amine
PubChem CID162403944
Molecular FormulaC21H40N6+2
Molecular Weight376.59 g/mol
Exact Mass376.33
IUPAC Name4,6-bis(1-methylpiperidin-1-ium-1-yl)-N,N-di(propan-2-yl)-1,3,5-triazin-2-amine
SMILESCC(C)N(c1nc([N+]2(C)CCCCC2)nc([N+]2(C)CCCCC2)n1)C(C)C
InChIInChI=1S/C21H40N6/c1-17(2)25(18(3)4)19-22-20(26(5)13-9-7-10-14-26)24-21(23-19)27(6)15-11-8-12-16-27/h17-18H,7-16H2,1-6H3/q+2
InChIKeyYHUOGRWETOOHLN-UHFFFAOYSA-N
XLogP3.74
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.59
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 4,6-bis(1-methylpiperidin-1-ium-1-yl)-N,N-di(propan-2-yl)-1,3,5-triazin-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 4,6-bis(1-methylpiperidin-1-ium-1-yl)-N,N-di(propan-2-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-bis(1-methylpiperidin-1-ium-1-yl)-N,N-di(propan-2-yl)-1,3,5-triazin-2-amine (CID 162403944) is 4,6-bis(1-methylpiperidin-1-ium-1-yl)-N,N-di(propan-2-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-bis(1-methylpiperidin-1-ium-1-yl)-N,N-di(propan-2-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-bis(1-methylpiperidin-1-ium-1-yl)-N,N-di(propan-2-yl)-1,3,5-triazin-2-amine is CC(C)N(c1nc([N+]2(C)CCCCC2)nc([N+]2(C)CCCCC2)n1)C(C)C.
What is the InChIKey of 4,6-bis(1-methylpiperidin-1-ium-1-yl)-N,N-di(propan-2-yl)-1,3,5-triazin-2-amine?
The InChIKey is YHUOGRWETOOHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40N6/c1-17(2)25(18(3)4)19-22-20(26(5)13-9-7-10-14-26)24-21(23-19)27(6)15-11-8-12-16-27/h17-18H,7-16H2,1-6H3/q+2.
What are the key properties of 4,6-bis(1-methylpiperidin-1-ium-1-yl)-N,N-di(propan-2-yl)-1,3,5-triazin-2-amine?
4,6-bis(1-methylpiperidin-1-ium-1-yl)-N,N-di(propan-2-yl)-1,3,5-triazin-2-amine has a molecular weight of 376.59 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(1-methylpiperidin-1-ium-1-yl)-N,N-di(propan-2-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 162403944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).