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

C19H34N6O3 — CID 23758516

IUPAC4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclohexyl-2-N-methyl-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine
SMILESC=CCOc1nc(NCCOCCOCCN)nc(N(C)C2CCCCC2)n1
InChIInChI=1S/C19H34N6O3/c1-3-11-28-19-23-17(21-10-13-27-15-14-26-12-9-20)22-18(24-19)25(2)16-7-5-4-6-8-16/h3,16H,1,4-15,20H2,2H3,(H,21,22,23,24)
InChIKeyTXQWFYKBXKKDFR-UHFFFAOYSA-N
MW394.52 g/mol
LogP1.61
Rot. Bonds14

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

4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclohexyl-2-N-methyl-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine (PubChem CID 23758516) has the molecular formula C19H34N6O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclohexyl-2-N-methyl-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-2-N-methyl-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine
PubChem CID23758516
Molecular FormulaC19H34N6O3
Molecular Weight394.52 g/mol
Exact Mass394.27
IUPAC Name4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclohexyl-2-N-methyl-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine
SMILESC=CCOc1nc(NCCOCCOCCN)nc(N(C)C2CCCCC2)n1
InChIInChI=1S/C19H34N6O3/c1-3-11-28-19-23-17(21-10-13-27-15-14-26-12-9-20)22-18(24-19)25(2)16-7-5-4-6-8-16/h3,16H,1,4-15,20H2,2H3,(H,21,22,23,24)
InChIKeyTXQWFYKBXKKDFR-UHFFFAOYSA-N
XLogP1.61
TPSA107.65 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 51.61
H-Bond Donors ≤ 52
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-2-N-methyl-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-2-N-methyl-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine (CID 23758516) is 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclohexyl-2-N-methyl-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-2-N-methyl-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-2-N-methyl-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine is C=CCOc1nc(NCCOCCOCCN)nc(N(C)C2CCCCC2)n1.
What is the InChIKey of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclohexyl-2-N-methyl-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine?
The InChIKey is TXQWFYKBXKKDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N6O3/c1-3-11-28-19-23-17(21-10-13-27-15-14-26-12-9-20)22-18(24-19)25(2)16-7-5-4-6-8-16/h3,16H,1,4-15,20H2,2H3,(H,21,22,23,24).
What are the key properties of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclohexyl-2-N-methyl-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine?
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclohexyl-2-N-methyl-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine has a molecular weight of 394.52 g/mol, XLogP of 1.61, 14 rotatable bonds, 2 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-2-N-methyl-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 23758516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).