2-N,4-N-bis(butoxymethyl)-1,3,5-triazine-2,4,6-triamine

C13H26N6O2 — CID 71375053

IUPAC2-N,4-N-bis(butoxymethyl)-1,3,5-triazine-2,4,6-triamine
SMILESCCCCOCNc1nc(N)nc(NCOCCCC)n1
InChIInChI=1S/C13H26N6O2/c1-3-5-7-20-9-15-12-17-11(14)18-13(19-12)16-10-21-8-6-4-2/h3-10H2,1-2H3,(H4,14,15,16,17,18,19)
InChIKeyNDCNGBJGEGNFCC-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.83
Rot. Bonds12

About 2-N,4-N-bis(butoxymethyl)-1,3,5-triazine-2,4,6-triamine

2-N,4-N-bis(butoxymethyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 71375053) has the molecular formula C13H26N6O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-N,4-N-bis(butoxymethyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,4-N-bis(butoxymethyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID71375053
Molecular FormulaC13H26N6O2
Molecular Weight298.39 g/mol
Exact Mass298.21
IUPAC Name2-N,4-N-bis(butoxymethyl)-1,3,5-triazine-2,4,6-triamine
SMILESCCCCOCNc1nc(N)nc(NCOCCCC)n1
InChIInChI=1S/C13H26N6O2/c1-3-5-7-20-9-15-12-17-11(14)18-13(19-12)16-10-21-8-6-4-2/h3-10H2,1-2H3,(H4,14,15,16,17,18,19)
InChIKeyNDCNGBJGEGNFCC-UHFFFAOYSA-N
XLogP1.83
TPSA107.21 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis(butoxymethyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,4-N-bis(butoxymethyl)-1,3,5-triazine-2,4,6-triamine (CID 71375053) is 2-N,4-N-bis(butoxymethyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,4-N-bis(butoxymethyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,4-N-bis(butoxymethyl)-1,3,5-triazine-2,4,6-triamine is CCCCOCNc1nc(N)nc(NCOCCCC)n1.
What is the InChIKey of 2-N,4-N-bis(butoxymethyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is NDCNGBJGEGNFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N6O2/c1-3-5-7-20-9-15-12-17-11(14)18-13(19-12)16-10-21-8-6-4-2/h3-10H2,1-2H3,(H4,14,15,16,17,18,19).
What are the key properties of 2-N,4-N-bis(butoxymethyl)-1,3,5-triazine-2,4,6-triamine?
2-N,4-N-bis(butoxymethyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 298.39 g/mol, XLogP of 1.83, 12 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-bis(butoxymethyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 71375053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).