6-[1-(2-undecylimidazol-1-yl)heptyl]-1,3,5-triazine-2,4-diamine

C24H43N7 — CID 175120563

IUPAC6-[1-(2-undecylimidazol-1-yl)heptyl]-1,3,5-triazine-2,4-diamine
SMILESCCCCCCCCCCCc1nccn1C(CCCCCC)c1nc(N)nc(N)n1
InChIInChI=1S/C24H43N7/c1-3-5-7-9-10-11-12-13-15-17-21-27-18-19-31(21)20(16-14-8-6-4-2)22-28-23(25)30-24(26)29-22/h18-20H,3-17H2,1-2H3,(H4,25,26,28,29,30)
InChIKeyOOOUVVMYWSJLTB-UHFFFAOYSA-N
MW429.66 g/mol
LogP5.87
Rot. Bonds17

About 6-[1-(2-undecylimidazol-1-yl)heptyl]-1,3,5-triazine-2,4-diamine

6-[1-(2-undecylimidazol-1-yl)heptyl]-1,3,5-triazine-2,4-diamine (PubChem CID 175120563) has the molecular formula C24H43N7 and a molecular weight of 429.66 g/mol. Its IUPAC name is 6-[1-(2-undecylimidazol-1-yl)heptyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[1-(2-undecylimidazol-1-yl)heptyl]-1,3,5-triazine-2,4-diamine
PubChem CID175120563
Molecular FormulaC24H43N7
Molecular Weight429.66 g/mol
Exact Mass429.36
IUPAC Name6-[1-(2-undecylimidazol-1-yl)heptyl]-1,3,5-triazine-2,4-diamine
SMILESCCCCCCCCCCCc1nccn1C(CCCCCC)c1nc(N)nc(N)n1
InChIInChI=1S/C24H43N7/c1-3-5-7-9-10-11-12-13-15-17-21-27-18-19-31(21)20(16-14-8-6-4-2)22-28-23(25)30-24(26)29-22/h18-20H,3-17H2,1-2H3,(H4,25,26,28,29,30)
InChIKeyOOOUVVMYWSJLTB-UHFFFAOYSA-N
XLogP5.87
TPSA108.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.66
LogP ≤ 55.87
H-Bond Donors ≤ 52
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 6-[1-(2-undecylimidazol-1-yl)heptyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[1-(2-undecylimidazol-1-yl)heptyl]-1,3,5-triazine-2,4-diamine (CID 175120563) is 6-[1-(2-undecylimidazol-1-yl)heptyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[1-(2-undecylimidazol-1-yl)heptyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[1-(2-undecylimidazol-1-yl)heptyl]-1,3,5-triazine-2,4-diamine is CCCCCCCCCCCc1nccn1C(CCCCCC)c1nc(N)nc(N)n1.
What is the InChIKey of 6-[1-(2-undecylimidazol-1-yl)heptyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is OOOUVVMYWSJLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H43N7/c1-3-5-7-9-10-11-12-13-15-17-21-27-18-19-31(21)20(16-14-8-6-4-2)22-28-23(25)30-24(26)29-22/h18-20H,3-17H2,1-2H3,(H4,25,26,28,29,30).
What are the key properties of 6-[1-(2-undecylimidazol-1-yl)heptyl]-1,3,5-triazine-2,4-diamine?
6-[1-(2-undecylimidazol-1-yl)heptyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 429.66 g/mol, XLogP of 5.87, 17 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(2-undecylimidazol-1-yl)heptyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 175120563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).