4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-N-butyl-2-N-pentan-3-yl-1,3,5-triazine-2,4,6-triamine

C18H37N7O2 — CID 23787611

IUPAC4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-N-butyl-2-N-pentan-3-yl-1,3,5-triazine-2,4,6-triamine
SMILESCCCCNc1nc(NCCOCCOCCN)nc(NC(CC)CC)n1
InChIInChI=1S/C18H37N7O2/c1-4-7-9-20-16-23-17(21-10-12-27-14-13-26-11-8-19)25-18(24-16)22-15(5-2)6-3/h15H,4-14,19H2,1-3H3,(H3,20,21,22,23,24,25)
InChIKeyXWGNVCBAXVOAHM-UHFFFAOYSA-N
MW383.54 g/mol
LogP2.09
Rot. Bonds17

About 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-N-butyl-2-N-pentan-3-yl-1,3,5-triazine-2,4,6-triamine

4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-N-butyl-2-N-pentan-3-yl-1,3,5-triazine-2,4,6-triamine (PubChem CID 23787611) has the molecular formula C18H37N7O2 and a molecular weight of 383.54 g/mol. Its IUPAC name is 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-N-butyl-2-N-pentan-3-yl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-N-butyl-2-N-pentan-3-yl-1,3,5-triazine-2,4,6-triamine
PubChem CID23787611
Molecular FormulaC18H37N7O2
Molecular Weight383.54 g/mol
Exact Mass383.30
IUPAC Name4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-N-butyl-2-N-pentan-3-yl-1,3,5-triazine-2,4,6-triamine
SMILESCCCCNc1nc(NCCOCCOCCN)nc(NC(CC)CC)n1
InChIInChI=1S/C18H37N7O2/c1-4-7-9-20-16-23-17(21-10-12-27-14-13-26-11-8-19)25-18(24-16)22-15(5-2)6-3/h15H,4-14,19H2,1-3H3,(H3,20,21,22,23,24,25)
InChIKeyXWGNVCBAXVOAHM-UHFFFAOYSA-N
XLogP2.09
TPSA119.24 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 52.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-N-butyl-2-N-pentan-3-yl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-N-butyl-2-N-pentan-3-yl-1,3,5-triazine-2,4,6-triamine (CID 23787611) is 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-N-butyl-2-N-pentan-3-yl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-N-butyl-2-N-pentan-3-yl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-N-butyl-2-N-pentan-3-yl-1,3,5-triazine-2,4,6-triamine is CCCCNc1nc(NCCOCCOCCN)nc(NC(CC)CC)n1.
What is the InChIKey of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-N-butyl-2-N-pentan-3-yl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is XWGNVCBAXVOAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N7O2/c1-4-7-9-20-16-23-17(21-10-12-27-14-13-26-11-8-19)25-18(24-16)22-15(5-2)6-3/h15H,4-14,19H2,1-3H3,(H3,20,21,22,23,24,25).
What are the key properties of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-N-butyl-2-N-pentan-3-yl-1,3,5-triazine-2,4,6-triamine?
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-N-butyl-2-N-pentan-3-yl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 383.54 g/mol, XLogP of 2.09, 17 rotatable bonds, 4 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]-6-N-butyl-2-N-pentan-3-yl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 23787611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).