1-[(1-adamantylimino-λ4-selanylidene)amino]adamantane

C20H30N2Se — CID 101199877

IUPAC1-[(1-adamantylimino-λ4-selanylidene)amino]adamantane
SMILESC1C2CC3CC1CC(N=[Se]=NC14CC5CC(CC(C5)C1)C4)(C2)C3
InChIInChI=1S/C20H30N2Se/c1-13-2-15-3-14(1)8-19(7-13,9-15)21-23-22-20-10-16-4-17(11-20)6-18(5-16)12-20/h13-18H,1-12H2
InChIKeyXMZHYFVLQJVEIV-UHFFFAOYSA-N
MW377.43 g/mol
LogP5.00
Rot. Bonds2

About 1-[(1-adamantylimino-λ4-selanylidene)amino]adamantane

1-[(1-adamantylimino-λ4-selanylidene)amino]adamantane (PubChem CID 101199877) has the molecular formula C20H30N2Se and a molecular weight of 377.43 g/mol. Its IUPAC name is 1-[(1-adamantylimino-λ4-selanylidene)amino]adamantane.

Molecular Properties

Compound Name1-[(1-adamantylimino-λ4-selanylidene)amino]adamantane
PubChem CID101199877
Molecular FormulaC20H30N2Se
Molecular Weight377.43 g/mol
Exact Mass378.16
IUPAC Name1-[(1-adamantylimino-λ4-selanylidene)amino]adamantane
SMILESC1C2CC3CC1CC(N=[Se]=NC14CC5CC(CC(C5)C1)C4)(C2)C3
InChIInChI=1S/C20H30N2Se/c1-13-2-15-3-14(1)8-19(7-13,9-15)21-23-22-20-10-16-4-17(11-20)6-18(5-16)12-20/h13-18H,1-12H2
InChIKeyXMZHYFVLQJVEIV-UHFFFAOYSA-N
XLogP5.00
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.43
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-adamantylimino-λ4-selanylidene)amino]adamantane?
The IUPAC name of 1-[(1-adamantylimino-λ4-selanylidene)amino]adamantane (CID 101199877) is 1-[(1-adamantylimino-λ4-selanylidene)amino]adamantane.
What is the SMILES notation for 1-[(1-adamantylimino-λ4-selanylidene)amino]adamantane?
The canonical SMILES for 1-[(1-adamantylimino-λ4-selanylidene)amino]adamantane is C1C2CC3CC1CC(N=[Se]=NC14CC5CC(CC(C5)C1)C4)(C2)C3.
What is the InChIKey of 1-[(1-adamantylimino-λ4-selanylidene)amino]adamantane?
The InChIKey is XMZHYFVLQJVEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2Se/c1-13-2-15-3-14(1)8-19(7-13,9-15)21-23-22-20-10-16-4-17(11-20)6-18(5-16)12-20/h13-18H,1-12H2.
What are the key properties of 1-[(1-adamantylimino-λ4-selanylidene)amino]adamantane?
1-[(1-adamantylimino-λ4-selanylidene)amino]adamantane has a molecular weight of 377.43 g/mol, XLogP of 5.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-adamantylimino-λ4-selanylidene)amino]adamantane is sourced from PubChem (CID 101199877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).