2-N,2-N,4-N-tris(methoxymethyl)-4-N-methyl-6-(4-methylcyclohexyl)-1,3,5-triazine-2,4-diamine

C17H31N5O3 — CID 58341529

IUPAC2-N,2-N,4-N-tris(methoxymethyl)-4-N-methyl-6-(4-methylcyclohexyl)-1,3,5-triazine-2,4-diamine
SMILESCOCN(C)c1nc(C2CCC(C)CC2)nc(N(COC)COC)n1
InChIInChI=1S/C17H31N5O3/c1-13-6-8-14(9-7-13)15-18-16(21(2)10-23-3)20-17(19-15)22(11-24-4)12-25-5/h13-14H,6-12H2,1-5H3
InChIKeyABQKMPMSRNQYEX-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.22
Rot. Bonds9

About 2-N,2-N,4-N-tris(methoxymethyl)-4-N-methyl-6-(4-methylcyclohexyl)-1,3,5-triazine-2,4-diamine

2-N,2-N,4-N-tris(methoxymethyl)-4-N-methyl-6-(4-methylcyclohexyl)-1,3,5-triazine-2,4-diamine (PubChem CID 58341529) has the molecular formula C17H31N5O3 and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-N,2-N,4-N-tris(methoxymethyl)-4-N-methyl-6-(4-methylcyclohexyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N,4-N-tris(methoxymethyl)-4-N-methyl-6-(4-methylcyclohexyl)-1,3,5-triazine-2,4-diamine
PubChem CID58341529
Molecular FormulaC17H31N5O3
Molecular Weight353.47 g/mol
Exact Mass353.24
IUPAC Name2-N,2-N,4-N-tris(methoxymethyl)-4-N-methyl-6-(4-methylcyclohexyl)-1,3,5-triazine-2,4-diamine
SMILESCOCN(C)c1nc(C2CCC(C)CC2)nc(N(COC)COC)n1
InChIInChI=1S/C17H31N5O3/c1-13-6-8-14(9-7-13)15-18-16(21(2)10-23-3)20-17(19-15)22(11-24-4)12-25-5/h13-14H,6-12H2,1-5H3
InChIKeyABQKMPMSRNQYEX-UHFFFAOYSA-N
XLogP2.22
TPSA72.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,4-N-tris(methoxymethyl)-4-N-methyl-6-(4-methylcyclohexyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,2-N,4-N-tris(methoxymethyl)-4-N-methyl-6-(4-methylcyclohexyl)-1,3,5-triazine-2,4-diamine (CID 58341529) is 2-N,2-N,4-N-tris(methoxymethyl)-4-N-methyl-6-(4-methylcyclohexyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,2-N,4-N-tris(methoxymethyl)-4-N-methyl-6-(4-methylcyclohexyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,2-N,4-N-tris(methoxymethyl)-4-N-methyl-6-(4-methylcyclohexyl)-1,3,5-triazine-2,4-diamine is COCN(C)c1nc(C2CCC(C)CC2)nc(N(COC)COC)n1.
What is the InChIKey of 2-N,2-N,4-N-tris(methoxymethyl)-4-N-methyl-6-(4-methylcyclohexyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is ABQKMPMSRNQYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N5O3/c1-13-6-8-14(9-7-13)15-18-16(21(2)10-23-3)20-17(19-15)22(11-24-4)12-25-5/h13-14H,6-12H2,1-5H3.
What are the key properties of 2-N,2-N,4-N-tris(methoxymethyl)-4-N-methyl-6-(4-methylcyclohexyl)-1,3,5-triazine-2,4-diamine?
2-N,2-N,4-N-tris(methoxymethyl)-4-N-methyl-6-(4-methylcyclohexyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 353.47 g/mol, XLogP of 2.22, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,4-N-tris(methoxymethyl)-4-N-methyl-6-(4-methylcyclohexyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 58341529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).