1-adamantyl-[(E)-1-adamantylazanidyldiazenyl]azanide

C20H30N4-2 — CID 177456578

IUPAC1-adamantyl-[(E)-1-adamantylazanidyldiazenyl]azanide
SMILESC1C2CC3CC1CC([N-]/N=N/[N-]C14CC5CC(CC(C5)C1)C4)(C2)C3
InChIInChI=1S/C20H30N4/c1-13-2-15-3-14(1)8-19(7-13,9-15)21-23-24-22-20-10-16-4-17(11-20)6-18(5-16)12-20/h13-18H,1-12H2/q-2
InChIKeyMNRLRTOJLXOGML-UHFFFAOYSA-N
MW326.49 g/mol
LogP5.95
Rot. Bonds4

About 1-adamantyl-[(E)-1-adamantylazanidyldiazenyl]azanide

1-adamantyl-[(E)-1-adamantylazanidyldiazenyl]azanide (PubChem CID 177456578) has the molecular formula C20H30N4-2 and a molecular weight of 326.49 g/mol. Its IUPAC name is 1-adamantyl-[(E)-1-adamantylazanidyldiazenyl]azanide.

Molecular Properties

Compound Name1-adamantyl-[(E)-1-adamantylazanidyldiazenyl]azanide
PubChem CID177456578
Molecular FormulaC20H30N4-2
Molecular Weight326.49 g/mol
Exact Mass326.25
IUPAC Name1-adamantyl-[(E)-1-adamantylazanidyldiazenyl]azanide
SMILESC1C2CC3CC1CC([N-]/N=N/[N-]C14CC5CC(CC(C5)C1)C4)(C2)C3
InChIInChI=1S/C20H30N4/c1-13-2-15-3-14(1)8-19(7-13,9-15)21-23-24-22-20-10-16-4-17(11-20)6-18(5-16)12-20/h13-18H,1-12H2/q-2
InChIKeyMNRLRTOJLXOGML-UHFFFAOYSA-N
XLogP5.95
TPSA52.92 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.49
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-adamantyl-[(E)-1-adamantylazanidyldiazenyl]azanide?
The IUPAC name of 1-adamantyl-[(E)-1-adamantylazanidyldiazenyl]azanide (CID 177456578) is 1-adamantyl-[(E)-1-adamantylazanidyldiazenyl]azanide.
What is the SMILES notation for 1-adamantyl-[(E)-1-adamantylazanidyldiazenyl]azanide?
The canonical SMILES for 1-adamantyl-[(E)-1-adamantylazanidyldiazenyl]azanide is C1C2CC3CC1CC([N-]/N=N/[N-]C14CC5CC(CC(C5)C1)C4)(C2)C3.
What is the InChIKey of 1-adamantyl-[(E)-1-adamantylazanidyldiazenyl]azanide?
The InChIKey is MNRLRTOJLXOGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4/c1-13-2-15-3-14(1)8-19(7-13,9-15)21-23-24-22-20-10-16-4-17(11-20)6-18(5-16)12-20/h13-18H,1-12H2/q-2.
What are the key properties of 1-adamantyl-[(E)-1-adamantylazanidyldiazenyl]azanide?
1-adamantyl-[(E)-1-adamantylazanidyldiazenyl]azanide has a molecular weight of 326.49 g/mol, XLogP of 5.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl-[(E)-1-adamantylazanidyldiazenyl]azanide is sourced from PubChem (CID 177456578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).