2-N,4-N,6-N-tris(2-propoxyethyl)-1,3,5-triazine-2,4,6-triamine

C18H36N6O3 — CID 58097420

IUPAC2-N,4-N,6-N-tris(2-propoxyethyl)-1,3,5-triazine-2,4,6-triamine
SMILESCCCOCCNc1nc(NCCOCCC)nc(NCCOCCC)n1
InChIInChI=1S/C18H36N6O3/c1-4-10-25-13-7-19-16-22-17(20-8-14-26-11-5-2)24-18(23-16)21-9-15-27-12-6-3/h4-15H2,1-3H3,(H3,19,20,21,22,23,24)
InChIKeyBFWFPJXAPQECEP-UHFFFAOYSA-N
MW384.53 g/mol
LogP2.39
Rot. Bonds18

About 2-N,4-N,6-N-tris(2-propoxyethyl)-1,3,5-triazine-2,4,6-triamine

2-N,4-N,6-N-tris(2-propoxyethyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 58097420) has the molecular formula C18H36N6O3 and a molecular weight of 384.53 g/mol. Its IUPAC name is 2-N,4-N,6-N-tris(2-propoxyethyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,4-N,6-N-tris(2-propoxyethyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID58097420
Molecular FormulaC18H36N6O3
Molecular Weight384.53 g/mol
Exact Mass384.28
IUPAC Name2-N,4-N,6-N-tris(2-propoxyethyl)-1,3,5-triazine-2,4,6-triamine
SMILESCCCOCCNc1nc(NCCOCCC)nc(NCCOCCC)n1
InChIInChI=1S/C18H36N6O3/c1-4-10-25-13-7-19-16-22-17(20-8-14-26-11-5-2)24-18(23-16)21-9-15-27-12-6-3/h4-15H2,1-3H3,(H3,19,20,21,22,23,24)
InChIKeyBFWFPJXAPQECEP-UHFFFAOYSA-N
XLogP2.39
TPSA102.45 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.53
LogP ≤ 52.39
H-Bond Donors ≤ 53
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 2-N,4-N,6-N-tris(2-propoxyethyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,4-N,6-N-tris(2-propoxyethyl)-1,3,5-triazine-2,4,6-triamine (CID 58097420) is 2-N,4-N,6-N-tris(2-propoxyethyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,4-N,6-N-tris(2-propoxyethyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,4-N,6-N-tris(2-propoxyethyl)-1,3,5-triazine-2,4,6-triamine is CCCOCCNc1nc(NCCOCCC)nc(NCCOCCC)n1.
What is the InChIKey of 2-N,4-N,6-N-tris(2-propoxyethyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is BFWFPJXAPQECEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N6O3/c1-4-10-25-13-7-19-16-22-17(20-8-14-26-11-5-2)24-18(23-16)21-9-15-27-12-6-3/h4-15H2,1-3H3,(H3,19,20,21,22,23,24).
What are the key properties of 2-N,4-N,6-N-tris(2-propoxyethyl)-1,3,5-triazine-2,4,6-triamine?
2-N,4-N,6-N-tris(2-propoxyethyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 384.53 g/mol, XLogP of 2.39, 18 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N,6-N-tris(2-propoxyethyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 58097420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).