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

C19H37F3N6O2 — CID 140573587

IUPAC6-ethoxy-4-N-(3-morpholin-4-ylpropyl)-2-N-[3-(trifluoromethyl)cyclohexyl]-1,3,5-triazinane-2,4-diamine
SMILESCCOC1NC(NCCCN2CCOCC2)NC(NC2CCCC(C(F)(F)F)C2)N1
InChIInChI=1S/C19H37F3N6O2/c1-2-30-18-26-16(23-7-4-8-28-9-11-29-12-10-28)25-17(27-18)24-15-6-3-5-14(13-15)19(20,21)22/h14-18,23-27H,2-13H2,1H3
InChIKeyNZHRZRBAKHQLPX-UHFFFAOYSA-N
MW438.54 g/mol
LogP0.68
Rot. Bonds9

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

6-ethoxy-4-N-(3-morpholin-4-ylpropyl)-2-N-[3-(trifluoromethyl)cyclohexyl]-1,3,5-triazinane-2,4-diamine (PubChem CID 140573587) has the molecular formula C19H37F3N6O2 and a molecular weight of 438.54 g/mol. Its IUPAC name is 6-ethoxy-4-N-(3-morpholin-4-ylpropyl)-2-N-[3-(trifluoromethyl)cyclohexyl]-1,3,5-triazinane-2,4-diamine.

Molecular Properties

Compound Name6-ethoxy-4-N-(3-morpholin-4-ylpropyl)-2-N-[3-(trifluoromethyl)cyclohexyl]-1,3,5-triazinane-2,4-diamine
PubChem CID140573587
Molecular FormulaC19H37F3N6O2
Molecular Weight438.54 g/mol
Exact Mass438.29
IUPAC Name6-ethoxy-4-N-(3-morpholin-4-ylpropyl)-2-N-[3-(trifluoromethyl)cyclohexyl]-1,3,5-triazinane-2,4-diamine
SMILESCCOC1NC(NCCCN2CCOCC2)NC(NC2CCCC(C(F)(F)F)C2)N1
InChIInChI=1S/C19H37F3N6O2/c1-2-30-18-26-16(23-7-4-8-28-9-11-29-12-10-28)25-17(27-18)24-15-6-3-5-14(13-15)19(20,21)22/h14-18,23-27H,2-13H2,1H3
InChIKeyNZHRZRBAKHQLPX-UHFFFAOYSA-N
XLogP0.68
TPSA81.85 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.54
LogP ≤ 50.68
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-[5,5-difluoro-1-(propan-2-ylcarbamoyl)piperidin-3-yl]propan-2-yl]morpholine-4-carboxamide
CID 129106701
5-(2,6-Dimorpholin-4-yl-1,3-diazinan-4-yl)-4-(trifluoromethyl)piperidin-2-amine
CID 132250583
4-N-piperidin-4-yl-6-(2,2,2-trifluoroethoxy)-2-N-[3-(trifluoromethyl)cyclohexyl]-1,3,5-triazinane-2,4-diamine
CID 140573588
4-N-[(4-fluorocyclohexyl)methyl]-2-N-[3-(morpholin-4-ylmethyl)cyclohexyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazinane-2,4-diamine
CID 140573595
4-[4-(cyclohexylmethyl)piperazin-1-yl]-6-ethoxy-N-[3-(trifluoromethyl)cyclohexyl]-1,3,5-triazinan-2-amine
CID 140573606
4-(4-fluorocyclohexyl)-N-piperidin-4-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazinan-2-amine
CID 140573607
N-[(5-methyloxolan-2-yl)methyl]-4-(2,2,2-trifluoroethoxy)-6-[4-[3-(trifluoromethyl)cyclohexyl]piperazin-1-yl]-1,3,5-triazinan-2-amine
CID 140573616
4-N-(piperidin-2-ylmethyl)-6-(2,2,2-trifluoroethoxy)-2-N-[3-(trifluoromethyl)cyclohexyl]-1,3,5-triazinane-2,4-diamine
CID 140573621
4-N-[(4-fluorocyclohexyl)methyl]-2-N-(2-methoxypiperidin-4-yl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazinane-2,4-diamine
CID 140573622
CID 140573630
CID 140573630
4-ethoxy-6-(piperidin-4-ylmethoxy)-N-[3-(trifluoromethyl)cyclohexyl]-1,3,5-triazinan-2-amine
CID 140573648
6-ethoxy-4-N-[1-(piperidin-2-ylmethyl)piperidin-4-yl]-2-N-[3-(trifluoromethyl)cyclohexyl]-1,3,5-triazinane-2,4-diamine
CID 140573683

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-4-N-(3-morpholin-4-ylpropyl)-2-N-[3-(trifluoromethyl)cyclohexyl]-1,3,5-triazinane-2,4-diamine?
The IUPAC name of 6-ethoxy-4-N-(3-morpholin-4-ylpropyl)-2-N-[3-(trifluoromethyl)cyclohexyl]-1,3,5-triazinane-2,4-diamine (CID 140573587) is 6-ethoxy-4-N-(3-morpholin-4-ylpropyl)-2-N-[3-(trifluoromethyl)cyclohexyl]-1,3,5-triazinane-2,4-diamine.
What is the SMILES notation for 6-ethoxy-4-N-(3-morpholin-4-ylpropyl)-2-N-[3-(trifluoromethyl)cyclohexyl]-1,3,5-triazinane-2,4-diamine?
The canonical SMILES for 6-ethoxy-4-N-(3-morpholin-4-ylpropyl)-2-N-[3-(trifluoromethyl)cyclohexyl]-1,3,5-triazinane-2,4-diamine is CCOC1NC(NCCCN2CCOCC2)NC(NC2CCCC(C(F)(F)F)C2)N1.
What is the InChIKey of 6-ethoxy-4-N-(3-morpholin-4-ylpropyl)-2-N-[3-(trifluoromethyl)cyclohexyl]-1,3,5-triazinane-2,4-diamine?
The InChIKey is NZHRZRBAKHQLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37F3N6O2/c1-2-30-18-26-16(23-7-4-8-28-9-11-29-12-10-28)25-17(27-18)24-15-6-3-5-14(13-15)19(20,21)22/h14-18,23-27H,2-13H2,1H3.
What are the key properties of 6-ethoxy-4-N-(3-morpholin-4-ylpropyl)-2-N-[3-(trifluoromethyl)cyclohexyl]-1,3,5-triazinane-2,4-diamine?
6-ethoxy-4-N-(3-morpholin-4-ylpropyl)-2-N-[3-(trifluoromethyl)cyclohexyl]-1,3,5-triazinane-2,4-diamine has a molecular weight of 438.54 g/mol, XLogP of 0.68, 9 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-4-N-(3-morpholin-4-ylpropyl)-2-N-[3-(trifluoromethyl)cyclohexyl]-1,3,5-triazinane-2,4-diamine is sourced from PubChem (CID 140573587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).