6-ethoxy-4-N-(2-morpholin-4-ylethyl)-2-N-[3-(trifluoromethyl)cyclohexyl]-1,3,5-triazinane-2,4-diamine

C18H35F3N6O2 — CID 140573752

IUPAC6-ethoxy-4-N-(2-morpholin-4-ylethyl)-2-N-[3-(trifluoromethyl)cyclohexyl]-1,3,5-triazinane-2,4-diamine
SMILESCCOC1NC(NCCN2CCOCC2)NC(NC2CCCC(C(F)(F)F)C2)N1
InChIInChI=1S/C18H35F3N6O2/c1-2-29-17-25-15(22-6-7-27-8-10-28-11-9-27)24-16(26-17)23-14-5-3-4-13(12-14)18(19,20)21/h13-17,22-26H,2-12H2,1H3
InChIKeyLABAZJVXSQWGSS-UHFFFAOYSA-N
MW424.51 g/mol
LogP0.29
Rot. Bonds8

About 6-ethoxy-4-N-(2-morpholin-4-ylethyl)-2-N-[3-(trifluoromethyl)cyclohexyl]-1,3,5-triazinane-2,4-diamine

6-ethoxy-4-N-(2-morpholin-4-ylethyl)-2-N-[3-(trifluoromethyl)cyclohexyl]-1,3,5-triazinane-2,4-diamine (PubChem CID 140573752) has the molecular formula C18H35F3N6O2 and a molecular weight of 424.51 g/mol. Its IUPAC name is 6-ethoxy-4-N-(2-morpholin-4-ylethyl)-2-N-[3-(trifluoromethyl)cyclohexyl]-1,3,5-triazinane-2,4-diamine.

Molecular Properties

Compound Name6-ethoxy-4-N-(2-morpholin-4-ylethyl)-2-N-[3-(trifluoromethyl)cyclohexyl]-1,3,5-triazinane-2,4-diamine
PubChem CID140573752
Molecular FormulaC18H35F3N6O2
Molecular Weight424.51 g/mol
Exact Mass424.28
IUPAC Name6-ethoxy-4-N-(2-morpholin-4-ylethyl)-2-N-[3-(trifluoromethyl)cyclohexyl]-1,3,5-triazinane-2,4-diamine
SMILESCCOC1NC(NCCN2CCOCC2)NC(NC2CCCC(C(F)(F)F)C2)N1
InChIInChI=1S/C18H35F3N6O2/c1-2-29-17-25-15(22-6-7-27-8-10-28-11-9-27)24-16(26-17)23-14-5-3-4-13(12-14)18(19,20)21/h13-17,22-26H,2-12H2,1H3
InChIKeyLABAZJVXSQWGSS-UHFFFAOYSA-N
XLogP0.29
TPSA81.85 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.51
LogP ≤ 50.29
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-4-N-(2-morpholin-4-ylethyl)-2-N-[3-(trifluoromethyl)cyclohexyl]-1,3,5-triazinane-2,4-diamine?
The IUPAC name of 6-ethoxy-4-N-(2-morpholin-4-ylethyl)-2-N-[3-(trifluoromethyl)cyclohexyl]-1,3,5-triazinane-2,4-diamine (CID 140573752) is 6-ethoxy-4-N-(2-morpholin-4-ylethyl)-2-N-[3-(trifluoromethyl)cyclohexyl]-1,3,5-triazinane-2,4-diamine.
What is the SMILES notation for 6-ethoxy-4-N-(2-morpholin-4-ylethyl)-2-N-[3-(trifluoromethyl)cyclohexyl]-1,3,5-triazinane-2,4-diamine?
The canonical SMILES for 6-ethoxy-4-N-(2-morpholin-4-ylethyl)-2-N-[3-(trifluoromethyl)cyclohexyl]-1,3,5-triazinane-2,4-diamine is CCOC1NC(NCCN2CCOCC2)NC(NC2CCCC(C(F)(F)F)C2)N1.
What is the InChIKey of 6-ethoxy-4-N-(2-morpholin-4-ylethyl)-2-N-[3-(trifluoromethyl)cyclohexyl]-1,3,5-triazinane-2,4-diamine?
The InChIKey is LABAZJVXSQWGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35F3N6O2/c1-2-29-17-25-15(22-6-7-27-8-10-28-11-9-27)24-16(26-17)23-14-5-3-4-13(12-14)18(19,20)21/h13-17,22-26H,2-12H2,1H3.
What are the key properties of 6-ethoxy-4-N-(2-morpholin-4-ylethyl)-2-N-[3-(trifluoromethyl)cyclohexyl]-1,3,5-triazinane-2,4-diamine?
6-ethoxy-4-N-(2-morpholin-4-ylethyl)-2-N-[3-(trifluoromethyl)cyclohexyl]-1,3,5-triazinane-2,4-diamine has a molecular weight of 424.51 g/mol, XLogP of 0.29, 8 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-4-N-(2-morpholin-4-ylethyl)-2-N-[3-(trifluoromethyl)cyclohexyl]-1,3,5-triazinane-2,4-diamine is sourced from PubChem (CID 140573752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).