4-N,6-N-dibutyl-2-N-(2-ethoxyethyl)-1,3,5-triazine-2,4,6-triamine

C15H30N6O — CID 59235529

IUPAC4-N,6-N-dibutyl-2-N-(2-ethoxyethyl)-1,3,5-triazine-2,4,6-triamine
SMILESCCCCNc1nc(NCCCC)nc(NCCOCC)n1
InChIInChI=1S/C15H30N6O/c1-4-7-9-16-13-19-14(17-10-8-5-2)21-15(20-13)18-11-12-22-6-3/h4-12H2,1-3H3,(H3,16,17,18,19,20,21)
InChIKeyWJFOMRFRDNEQFA-UHFFFAOYSA-N
MW310.45 g/mol
LogP2.74
Rot. Bonds13

About 4-N,6-N-dibutyl-2-N-(2-ethoxyethyl)-1,3,5-triazine-2,4,6-triamine

4-N,6-N-dibutyl-2-N-(2-ethoxyethyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 59235529) has the molecular formula C15H30N6O and a molecular weight of 310.45 g/mol. Its IUPAC name is 4-N,6-N-dibutyl-2-N-(2-ethoxyethyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name4-N,6-N-dibutyl-2-N-(2-ethoxyethyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID59235529
Molecular FormulaC15H30N6O
Molecular Weight310.45 g/mol
Exact Mass310.25
IUPAC Name4-N,6-N-dibutyl-2-N-(2-ethoxyethyl)-1,3,5-triazine-2,4,6-triamine
SMILESCCCCNc1nc(NCCCC)nc(NCCOCC)n1
InChIInChI=1S/C15H30N6O/c1-4-7-9-16-13-19-14(17-10-8-5-2)21-15(20-13)18-11-12-22-6-3/h4-12H2,1-3H3,(H3,16,17,18,19,20,21)
InChIKeyWJFOMRFRDNEQFA-UHFFFAOYSA-N
XLogP2.74
TPSA83.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.45
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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,6-N-dibutyl-2-N-(2-ethoxyethyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 4-N,6-N-dibutyl-2-N-(2-ethoxyethyl)-1,3,5-triazine-2,4,6-triamine (CID 59235529) is 4-N,6-N-dibutyl-2-N-(2-ethoxyethyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 4-N,6-N-dibutyl-2-N-(2-ethoxyethyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 4-N,6-N-dibutyl-2-N-(2-ethoxyethyl)-1,3,5-triazine-2,4,6-triamine is CCCCNc1nc(NCCCC)nc(NCCOCC)n1.
What is the InChIKey of 4-N,6-N-dibutyl-2-N-(2-ethoxyethyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is WJFOMRFRDNEQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N6O/c1-4-7-9-16-13-19-14(17-10-8-5-2)21-15(20-13)18-11-12-22-6-3/h4-12H2,1-3H3,(H3,16,17,18,19,20,21).
What are the key properties of 4-N,6-N-dibutyl-2-N-(2-ethoxyethyl)-1,3,5-triazine-2,4,6-triamine?
4-N,6-N-dibutyl-2-N-(2-ethoxyethyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 310.45 g/mol, XLogP of 2.74, 13 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,6-N-dibutyl-2-N-(2-ethoxyethyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 59235529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).