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

C19H36N6+2 — CID 162403833

IUPACN,N-diethyl-4,6-bis(1-methylpiperidin-1-ium-1-yl)-1,3,5-triazin-2-amine
SMILESCCN(CC)c1nc([N+]2(C)CCCCC2)nc([N+]2(C)CCCCC2)n1
InChIInChI=1S/C19H36N6/c1-5-23(6-2)17-20-18(24(3)13-9-7-10-14-24)22-19(21-17)25(4)15-11-8-12-16-25/h5-16H2,1-4H3/q+2
InChIKeyGZTSKIGMWOVEMN-UHFFFAOYSA-N
MW348.54 g/mol
LogP2.96
Rot. Bonds5

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

N,N-diethyl-4,6-bis(1-methylpiperidin-1-ium-1-yl)-1,3,5-triazin-2-amine (PubChem CID 162403833) has the molecular formula C19H36N6+2 and a molecular weight of 348.54 g/mol. Its IUPAC name is N,N-diethyl-4,6-bis(1-methylpiperidin-1-ium-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN,N-diethyl-4,6-bis(1-methylpiperidin-1-ium-1-yl)-1,3,5-triazin-2-amine
PubChem CID162403833
Molecular FormulaC19H36N6+2
Molecular Weight348.54 g/mol
Exact Mass348.30
IUPAC NameN,N-diethyl-4,6-bis(1-methylpiperidin-1-ium-1-yl)-1,3,5-triazin-2-amine
SMILESCCN(CC)c1nc([N+]2(C)CCCCC2)nc([N+]2(C)CCCCC2)n1
InChIInChI=1S/C19H36N6/c1-5-23(6-2)17-20-18(24(3)13-9-7-10-14-24)22-19(21-17)25(4)15-11-8-12-16-25/h5-16H2,1-4H3/q+2
InChIKeyGZTSKIGMWOVEMN-UHFFFAOYSA-N
XLogP2.96
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.54
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N,N-diethyl-4,6-bis(1-methylpiperidin-1-ium-1-yl)-1,3,5-triazin-2-amine with MolForge

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Related Compounds

s-Triazine, 2-amino-4,6-dipiperidino-
CID 204417
1,3,5-Triazine-2,4-diamine, N,N,N',N'-tetramethyl-6-(1-piperidinyl)-
CID 969866
2-(4-Methylpiperidin-1-yl)-4,6-di(piperidin-1-yl)-1,3,5-triazine
CID 790419
2,4,6-Tri(piperidin-1-yl)-1,3,5-triazine
CID 2827031
s-Triazine, 2,4-dipiperidino-6-methyl-
CID 33386
2-Chloro-4,6-bis(2-methylpiperidin-1-yl)-1,3,5-triazine
CID 4007843
2-Chloro-4,6-di(piperidin-1-yl)-1,3,5-triazine
CID 224972
2,4,6-Tris(4-methylpiperidin-1-yl)-1,3,5-triazine
CID 1035143
Cambridge id 5485142
CID 805708
2-Chloro-4,6-bis(4-methylpiperidin-1-yl)-1,3,5-triazine
CID 698431
4-chloro-N,N-diethyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 14813048
2,4-Di(piperidin-1-yl)-1,3,5-triazine
CID 14933143

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4,6-bis(1-methylpiperidin-1-ium-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of N,N-diethyl-4,6-bis(1-methylpiperidin-1-ium-1-yl)-1,3,5-triazin-2-amine (CID 162403833) is N,N-diethyl-4,6-bis(1-methylpiperidin-1-ium-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for N,N-diethyl-4,6-bis(1-methylpiperidin-1-ium-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for N,N-diethyl-4,6-bis(1-methylpiperidin-1-ium-1-yl)-1,3,5-triazin-2-amine is CCN(CC)c1nc([N+]2(C)CCCCC2)nc([N+]2(C)CCCCC2)n1.
What is the InChIKey of N,N-diethyl-4,6-bis(1-methylpiperidin-1-ium-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is GZTSKIGMWOVEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N6/c1-5-23(6-2)17-20-18(24(3)13-9-7-10-14-24)22-19(21-17)25(4)15-11-8-12-16-25/h5-16H2,1-4H3/q+2.
What are the key properties of N,N-diethyl-4,6-bis(1-methylpiperidin-1-ium-1-yl)-1,3,5-triazin-2-amine?
N,N-diethyl-4,6-bis(1-methylpiperidin-1-ium-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 348.54 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4,6-bis(1-methylpiperidin-1-ium-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 162403833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).