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

C18H35N5 — CID 11970482

IUPAC6-pentadecyl-1,3,5-triazine-2,4-diamine
SMILESCCCCCCCCCCCCCCCc1nc(N)nc(N)n1
InChIInChI=1S/C18H35N5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-17(19)23-18(20)22-16/h2-15H2,1H3,(H4,19,20,21,22,23)
InChIKeyJZSZJXLPSQTWSS-UHFFFAOYSA-N
MW321.51 g/mol
LogP4.67
Rot. Bonds14

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

6-pentadecyl-1,3,5-triazine-2,4-diamine (PubChem CID 11970482) has the molecular formula C18H35N5 and a molecular weight of 321.51 g/mol. Its IUPAC name is 6-pentadecyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-pentadecyl-1,3,5-triazine-2,4-diamine
PubChem CID11970482
Molecular FormulaC18H35N5
Molecular Weight321.51 g/mol
Exact Mass321.29
IUPAC Name6-pentadecyl-1,3,5-triazine-2,4-diamine
SMILESCCCCCCCCCCCCCCCc1nc(N)nc(N)n1
InChIInChI=1S/C18H35N5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-17(19)23-18(20)22-16/h2-15H2,1H3,(H4,19,20,21,22,23)
InChIKeyJZSZJXLPSQTWSS-UHFFFAOYSA-N
XLogP4.67
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.51
LogP ≤ 54.67
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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Frequently Asked Questions

What is the IUPAC name of 6-pentadecyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-pentadecyl-1,3,5-triazine-2,4-diamine (CID 11970482) is 6-pentadecyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-pentadecyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-pentadecyl-1,3,5-triazine-2,4-diamine is CCCCCCCCCCCCCCCc1nc(N)nc(N)n1.
What is the InChIKey of 6-pentadecyl-1,3,5-triazine-2,4-diamine?
The InChIKey is JZSZJXLPSQTWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-17(19)23-18(20)22-16/h2-15H2,1H3,(H4,19,20,21,22,23).
What are the key properties of 6-pentadecyl-1,3,5-triazine-2,4-diamine?
6-pentadecyl-1,3,5-triazine-2,4-diamine has a molecular weight of 321.51 g/mol, XLogP of 4.67, 14 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pentadecyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 11970482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).