6-octadecyl-1,3,5-triazine-2,4-diamine

C21H41N5 — CID 154108733

IUPAC6-octadecyl-1,3,5-triazine-2,4-diamine
SMILESCCCCCCCCCCCCCCCCCCc1nc(N)nc(N)n1
InChIInChI=1S/C21H41N5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-20(22)26-21(23)25-19/h2-18H2,1H3,(H4,22,23,24,25,26)
InChIKeyPUNBNIKEWSXOSK-UHFFFAOYSA-N
MW363.59 g/mol
LogP5.84
Rot. Bonds17

About 6-octadecyl-1,3,5-triazine-2,4-diamine

6-octadecyl-1,3,5-triazine-2,4-diamine (PubChem CID 154108733) has the molecular formula C21H41N5 and a molecular weight of 363.59 g/mol. Its IUPAC name is 6-octadecyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-octadecyl-1,3,5-triazine-2,4-diamine
PubChem CID154108733
Molecular FormulaC21H41N5
Molecular Weight363.59 g/mol
Exact Mass363.34
IUPAC Name6-octadecyl-1,3,5-triazine-2,4-diamine
SMILESCCCCCCCCCCCCCCCCCCc1nc(N)nc(N)n1
InChIInChI=1S/C21H41N5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-20(22)26-21(23)25-19/h2-18H2,1H3,(H4,22,23,24,25,26)
InChIKeyPUNBNIKEWSXOSK-UHFFFAOYSA-N
XLogP5.84
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.59
LogP ≤ 55.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-butyl-1,3,5-triazine-2,4-diamine
CID 18602
2-butyl-4,6-di(nonyl)-1,3,5-triazine
CID 91505211
2,4-didecyl-6-ethyl-1,3,5-triazine
CID 123764095
2-methyl-4,6-di(undecyl)-1,3,5-triazine
CID 66935894
2-methyl-4,6-di(octacosyl)-1,3,5-triazine
CID 66935655
6-[2-(4-methyl-2-undecylimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 70808083
3-undecyl-1,2,4-oxadiazol-5-amine
CID 10900725
2,4-dimethyl-6-pentyl-1,3,5-triazine
CID 15211759
1-methoxyhexane;1,3,5-triazine-2,4,6-triamine
CID 67569539
4-butyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 106659288
2,4-bis(chloromethyl)-6-pentyl-1,3,5-triazine
CID 69095431
2-butyl-4,6-dihexylpyrimidine
CID 91010912

Frequently Asked Questions

What is the IUPAC name of 6-octadecyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-octadecyl-1,3,5-triazine-2,4-diamine (CID 154108733) is 6-octadecyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-octadecyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-octadecyl-1,3,5-triazine-2,4-diamine is CCCCCCCCCCCCCCCCCCc1nc(N)nc(N)n1.
What is the InChIKey of 6-octadecyl-1,3,5-triazine-2,4-diamine?
The InChIKey is PUNBNIKEWSXOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41N5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-20(22)26-21(23)25-19/h2-18H2,1H3,(H4,22,23,24,25,26).
What are the key properties of 6-octadecyl-1,3,5-triazine-2,4-diamine?
6-octadecyl-1,3,5-triazine-2,4-diamine has a molecular weight of 363.59 g/mol, XLogP of 5.84, 17 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-octadecyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 154108733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).