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

C16H29N5O3 — CID 58341526

IUPAC6-cyclohexyl-2-N,2-N,4-N-tris(methoxymethyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCOCN(C)c1nc(C2CCCCC2)nc(N(COC)COC)n1
InChIInChI=1S/C16H29N5O3/c1-20(10-22-2)15-17-14(13-8-6-5-7-9-13)18-16(19-15)21(11-23-3)12-24-4/h13H,5-12H2,1-4H3
InChIKeyRVFJUSHSUUNGGL-UHFFFAOYSA-N
MW339.44 g/mol
LogP1.97
Rot. Bonds9

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

6-cyclohexyl-2-N,2-N,4-N-tris(methoxymethyl)-4-N-methyl-1,3,5-triazine-2,4-diamine (PubChem CID 58341526) has the molecular formula C16H29N5O3 and a molecular weight of 339.44 g/mol. Its IUPAC name is 6-cyclohexyl-2-N,2-N,4-N-tris(methoxymethyl)-4-N-methyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-cyclohexyl-2-N,2-N,4-N-tris(methoxymethyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
PubChem CID58341526
Molecular FormulaC16H29N5O3
Molecular Weight339.44 g/mol
Exact Mass339.23
IUPAC Name6-cyclohexyl-2-N,2-N,4-N-tris(methoxymethyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCOCN(C)c1nc(C2CCCCC2)nc(N(COC)COC)n1
InChIInChI=1S/C16H29N5O3/c1-20(10-22-2)15-17-14(13-8-6-5-7-9-13)18-16(19-15)21(11-23-3)12-24-4/h13H,5-12H2,1-4H3
InChIKeyRVFJUSHSUUNGGL-UHFFFAOYSA-N
XLogP1.97
TPSA72.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 51.97
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 6-cyclohexyl-2-N,2-N,4-N-tris(methoxymethyl)-4-N-methyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-cyclohexyl-2-N,2-N,4-N-tris(methoxymethyl)-4-N-methyl-1,3,5-triazine-2,4-diamine (CID 58341526) is 6-cyclohexyl-2-N,2-N,4-N-tris(methoxymethyl)-4-N-methyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-cyclohexyl-2-N,2-N,4-N-tris(methoxymethyl)-4-N-methyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-cyclohexyl-2-N,2-N,4-N-tris(methoxymethyl)-4-N-methyl-1,3,5-triazine-2,4-diamine is COCN(C)c1nc(C2CCCCC2)nc(N(COC)COC)n1.
What is the InChIKey of 6-cyclohexyl-2-N,2-N,4-N-tris(methoxymethyl)-4-N-methyl-1,3,5-triazine-2,4-diamine?
The InChIKey is RVFJUSHSUUNGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5O3/c1-20(10-22-2)15-17-14(13-8-6-5-7-9-13)18-16(19-15)21(11-23-3)12-24-4/h13H,5-12H2,1-4H3.
What are the key properties of 6-cyclohexyl-2-N,2-N,4-N-tris(methoxymethyl)-4-N-methyl-1,3,5-triazine-2,4-diamine?
6-cyclohexyl-2-N,2-N,4-N-tris(methoxymethyl)-4-N-methyl-1,3,5-triazine-2,4-diamine has a molecular weight of 339.44 g/mol, XLogP of 1.97, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-2-N,2-N,4-N-tris(methoxymethyl)-4-N-methyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 58341526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).