2-N,2-N,4-N-tributoxy-4-N-methyl-1,3,5-triazine-2,4,6-triamine

C16H32N6O3 — CID 18695052

IUPAC2-N,2-N,4-N-tributoxy-4-N-methyl-1,3,5-triazine-2,4,6-triamine
SMILESCCCCON(C)c1nc(N)nc(N(OCCCC)OCCCC)n1
InChIInChI=1S/C16H32N6O3/c1-5-8-11-23-21(4)15-18-14(17)19-16(20-15)22(24-12-9-6-2)25-13-10-7-3/h5-13H2,1-4H3,(H2,17,18,19,20)
InChIKeyRMPXOEWILSKMGW-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.89
Rot. Bonds14

About 2-N,2-N,4-N-tributoxy-4-N-methyl-1,3,5-triazine-2,4,6-triamine

2-N,2-N,4-N-tributoxy-4-N-methyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 18695052) has the molecular formula C16H32N6O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is 2-N,2-N,4-N-tributoxy-4-N-methyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,2-N,4-N-tributoxy-4-N-methyl-1,3,5-triazine-2,4,6-triamine
PubChem CID18695052
Molecular FormulaC16H32N6O3
Molecular Weight356.47 g/mol
Exact Mass356.25
IUPAC Name2-N,2-N,4-N-tributoxy-4-N-methyl-1,3,5-triazine-2,4,6-triamine
SMILESCCCCON(C)c1nc(N)nc(N(OCCCC)OCCCC)n1
InChIInChI=1S/C16H32N6O3/c1-5-8-11-23-21(4)15-18-14(17)19-16(20-15)22(24-12-9-6-2)25-13-10-7-3/h5-13H2,1-4H3,(H2,17,18,19,20)
InChIKeyRMPXOEWILSKMGW-UHFFFAOYSA-N
XLogP2.89
TPSA98.86 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 2-N,2-N,4-N-tributoxy-4-N-methyl-1,3,5-triazine-2,4,6-triamine with MolForge

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Launch Full Analysis

Related Compounds

N~2~,N~4~,N~6~-Tris(butoxymethyl)-1,3,5-triazine-2,4,6-triamine
CID 20822524
2-N,2-N-bis(butoxymethyl)-1,3,5-triazine-2,4,6-triamine
CID 17865452
2-N-butoxy-2-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 18695053
2-N,2-N,4-N,4-N,6-N-pentabutoxy-6-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 18695054
2-N,2-N,4-N,6-N-tetrabutoxy-4-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 18695062
[[4-Amino-6-(methoxyamino)-1,3,5-triazin-2-yl]-butoxyamino]methanol
CID 18944679
2-N-butoxy-2-N-(methoxymethyl)-1,3,5-triazine-2,4,6-triamine
CID 19877060
2-N-butoxy-4-N-methoxy-2-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 19960736
2-N,2-N,4-N-tributoxy-4-N-(trimethoxymethyl)-1,3,5-triazine-2,4,6-triamine
CID 20312324
2-N,2-N,4-N-triethoxy-1,3,5-triazine-2,4,6-triamine
CID 20360864
2-N,2-N,4-N,4-N-tetrakis(butoxymethyl)-1,3,5-triazine-2,4,6-triamine
CID 20509508
2-N-methoxy-2-N-(2-methylpropoxy)-1,3,5-triazine-2,4,6-triamine
CID 21183458

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,4-N-tributoxy-4-N-methyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,2-N,4-N-tributoxy-4-N-methyl-1,3,5-triazine-2,4,6-triamine (CID 18695052) is 2-N,2-N,4-N-tributoxy-4-N-methyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,2-N,4-N-tributoxy-4-N-methyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,2-N,4-N-tributoxy-4-N-methyl-1,3,5-triazine-2,4,6-triamine is CCCCON(C)c1nc(N)nc(N(OCCCC)OCCCC)n1.
What is the InChIKey of 2-N,2-N,4-N-tributoxy-4-N-methyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is RMPXOEWILSKMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N6O3/c1-5-8-11-23-21(4)15-18-14(17)19-16(20-15)22(24-12-9-6-2)25-13-10-7-3/h5-13H2,1-4H3,(H2,17,18,19,20).
What are the key properties of 2-N,2-N,4-N-tributoxy-4-N-methyl-1,3,5-triazine-2,4,6-triamine?
2-N,2-N,4-N-tributoxy-4-N-methyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 356.47 g/mol, XLogP of 2.89, 14 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,4-N-tributoxy-4-N-methyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 18695052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).