4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclohexyl-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine

C18H32N6O3 — CID 23956925

IUPAC4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclohexyl-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine
SMILESC=CCOc1nc(NCCOCCOCCN)nc(NC2CCCCC2)n1
InChIInChI=1S/C18H32N6O3/c1-2-10-27-18-23-16(20-9-12-26-14-13-25-11-8-19)22-17(24-18)21-15-6-4-3-5-7-15/h2,15H,1,3-14,19H2,(H2,20,21,22,23,24)
InChIKeyZOOFMAXXWMIDJO-UHFFFAOYSA-N
MW380.49 g/mol
LogP1.58
Rot. Bonds14

About 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclohexyl-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine

4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclohexyl-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine (PubChem CID 23956925) has the molecular formula C18H32N6O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclohexyl-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclohexyl-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine
PubChem CID23956925
Molecular FormulaC18H32N6O3
Molecular Weight380.49 g/mol
Exact Mass380.25
IUPAC Name4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclohexyl-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine
SMILESC=CCOc1nc(NCCOCCOCCN)nc(NC2CCCCC2)n1
InChIInChI=1S/C18H32N6O3/c1-2-10-27-18-23-16(20-9-12-26-14-13-25-11-8-19)22-17(24-18)21-15-6-4-3-5-7-15/h2,15H,1,3-14,19H2,(H2,20,21,22,23,24)
InChIKeyZOOFMAXXWMIDJO-UHFFFAOYSA-N
XLogP1.58
TPSA116.44 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclohexyl-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclohexyl-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine (CID 23956925) is 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclohexyl-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclohexyl-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclohexyl-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine is C=CCOc1nc(NCCOCCOCCN)nc(NC2CCCCC2)n1.
What is the InChIKey of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclohexyl-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine?
The InChIKey is ZOOFMAXXWMIDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N6O3/c1-2-10-27-18-23-16(20-9-12-26-14-13-25-11-8-19)22-17(24-18)21-15-6-4-3-5-7-15/h2,15H,1,3-14,19H2,(H2,20,21,22,23,24).
What are the key properties of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclohexyl-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine?
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclohexyl-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine has a molecular weight of 380.49 g/mol, XLogP of 1.58, 14 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclohexyl-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 23956925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).