N-[(2,4-diethoxyphenyl)methylideneamino]-N-methyl-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine

C25H37N7O2 — CID 3695532

IUPACN-[(2,4-diethoxyphenyl)methylideneamino]-N-methyl-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
SMILESCCOc1ccc(C=NN(C)c2nc(N3CCCCC3)nc(N3CCCCC3)n2)c(OCC)c1
InChIInChI=1S/C25H37N7O2/c1-4-33-21-13-12-20(22(18-21)34-5-2)19-26-30(3)23-27-24(31-14-8-6-9-15-31)29-25(28-23)32-16-10-7-11-17-32/h12-13,18-19H,4-11,14-17H2,1-3H3
InChIKeyYWHFOOLKHUDDBR-UHFFFAOYSA-N
MW467.62 g/mol
LogP4.12
Rot. Bonds9

About N-[(2,4-diethoxyphenyl)methylideneamino]-N-methyl-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine

N-[(2,4-diethoxyphenyl)methylideneamino]-N-methyl-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine (PubChem CID 3695532) has the molecular formula C25H37N7O2 and a molecular weight of 467.62 g/mol. Its IUPAC name is N-[(2,4-diethoxyphenyl)methylideneamino]-N-methyl-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-[(2,4-diethoxyphenyl)methylideneamino]-N-methyl-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
PubChem CID3695532
Molecular FormulaC25H37N7O2
Molecular Weight467.62 g/mol
Exact Mass467.30
IUPAC NameN-[(2,4-diethoxyphenyl)methylideneamino]-N-methyl-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
SMILESCCOc1ccc(C=NN(C)c2nc(N3CCCCC3)nc(N3CCCCC3)n2)c(OCC)c1
InChIInChI=1S/C25H37N7O2/c1-4-33-21-13-12-20(22(18-21)34-5-2)19-26-30(3)23-27-24(31-14-8-6-9-15-31)29-25(28-23)32-16-10-7-11-17-32/h12-13,18-19H,4-11,14-17H2,1-3H3
InChIKeyYWHFOOLKHUDDBR-UHFFFAOYSA-N
XLogP4.12
TPSA79.21 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.62
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-diethoxyphenyl)methylideneamino]-N-methyl-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of N-[(2,4-diethoxyphenyl)methylideneamino]-N-methyl-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine (CID 3695532) is N-[(2,4-diethoxyphenyl)methylideneamino]-N-methyl-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for N-[(2,4-diethoxyphenyl)methylideneamino]-N-methyl-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for N-[(2,4-diethoxyphenyl)methylideneamino]-N-methyl-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine is CCOc1ccc(C=NN(C)c2nc(N3CCCCC3)nc(N3CCCCC3)n2)c(OCC)c1.
What is the InChIKey of N-[(2,4-diethoxyphenyl)methylideneamino]-N-methyl-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is YWHFOOLKHUDDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N7O2/c1-4-33-21-13-12-20(22(18-21)34-5-2)19-26-30(3)23-27-24(31-14-8-6-9-15-31)29-25(28-23)32-16-10-7-11-17-32/h12-13,18-19H,4-11,14-17H2,1-3H3.
What are the key properties of N-[(2,4-diethoxyphenyl)methylideneamino]-N-methyl-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine?
N-[(2,4-diethoxyphenyl)methylideneamino]-N-methyl-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 467.62 g/mol, XLogP of 4.12, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-diethoxyphenyl)methylideneamino]-N-methyl-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 3695532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).