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

C17H31N5O4 — CID 59058308

IUPAC6-cyclohexyl-2-N,2-N,4-N,4-N-tetrakis(methoxymethyl)-1,3,5-triazine-2,4-diamine
SMILESCOCN(COC)c1nc(C2CCCCC2)nc(N(COC)COC)n1
InChIInChI=1S/C17H31N5O4/c1-23-10-21(11-24-2)16-18-15(14-8-6-5-7-9-14)19-17(20-16)22(12-25-3)13-26-4/h14H,5-13H2,1-4H3
InChIKeyYDAGWDJNXPLZDL-UHFFFAOYSA-N
MW369.47 g/mol
LogP1.95
Rot. Bonds11

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

6-cyclohexyl-2-N,2-N,4-N,4-N-tetrakis(methoxymethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 59058308) has the molecular formula C17H31N5O4 and a molecular weight of 369.47 g/mol. Its IUPAC name is 6-cyclohexyl-2-N,2-N,4-N,4-N-tetrakis(methoxymethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-cyclohexyl-2-N,2-N,4-N,4-N-tetrakis(methoxymethyl)-1,3,5-triazine-2,4-diamine
PubChem CID59058308
Molecular FormulaC17H31N5O4
Molecular Weight369.47 g/mol
Exact Mass369.24
IUPAC Name6-cyclohexyl-2-N,2-N,4-N,4-N-tetrakis(methoxymethyl)-1,3,5-triazine-2,4-diamine
SMILESCOCN(COC)c1nc(C2CCCCC2)nc(N(COC)COC)n1
InChIInChI=1S/C17H31N5O4/c1-23-10-21(11-24-2)16-18-15(14-8-6-5-7-9-14)19-17(20-16)22(12-25-3)13-26-4/h14H,5-13H2,1-4H3
InChIKeyYDAGWDJNXPLZDL-UHFFFAOYSA-N
XLogP1.95
TPSA82.07 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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,4-N-tetrakis(methoxymethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-cyclohexyl-2-N,2-N,4-N,4-N-tetrakis(methoxymethyl)-1,3,5-triazine-2,4-diamine (CID 59058308) is 6-cyclohexyl-2-N,2-N,4-N,4-N-tetrakis(methoxymethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-cyclohexyl-2-N,2-N,4-N,4-N-tetrakis(methoxymethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-cyclohexyl-2-N,2-N,4-N,4-N-tetrakis(methoxymethyl)-1,3,5-triazine-2,4-diamine is COCN(COC)c1nc(C2CCCCC2)nc(N(COC)COC)n1.
What is the InChIKey of 6-cyclohexyl-2-N,2-N,4-N,4-N-tetrakis(methoxymethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is YDAGWDJNXPLZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N5O4/c1-23-10-21(11-24-2)16-18-15(14-8-6-5-7-9-14)19-17(20-16)22(12-25-3)13-26-4/h14H,5-13H2,1-4H3.
What are the key properties of 6-cyclohexyl-2-N,2-N,4-N,4-N-tetrakis(methoxymethyl)-1,3,5-triazine-2,4-diamine?
6-cyclohexyl-2-N,2-N,4-N,4-N-tetrakis(methoxymethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 369.47 g/mol, XLogP of 1.95, 11 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-2-N,2-N,4-N,4-N-tetrakis(methoxymethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 59058308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).