bis(1-adamantyl)methanimine

C21H31N — CID 87876115

IUPACbis(1-adamantyl)methanimine
SMILES[H]N=C(C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H31N/c22-19(20-7-13-1-14(8-20)3-15(2-13)9-20)21-10-16-4-17(11-21)6-18(5-16)12-21/h13-18,22H,1-12H2
InChIKeySYQLEZOLDWUIFL-UHFFFAOYSA-N
MW297.49 g/mol
LogP5.44
Rot. Bonds2

About bis(1-adamantyl)methanimine

bis(1-adamantyl)methanimine (PubChem CID 87876115) has the molecular formula C21H31N and a molecular weight of 297.49 g/mol. Its IUPAC name is bis(1-adamantyl)methanimine.

Molecular Properties

Compound Namebis(1-adamantyl)methanimine
PubChem CID87876115
Molecular FormulaC21H31N
Molecular Weight297.49 g/mol
Exact Mass297.25
IUPAC Namebis(1-adamantyl)methanimine
SMILES[H]N=C(C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H31N/c22-19(20-7-13-1-14(8-20)3-15(2-13)9-20)21-10-16-4-17(11-21)6-18(5-16)12-21/h13-18,22H,1-12H2
InChIKeySYQLEZOLDWUIFL-UHFFFAOYSA-N
XLogP5.44
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.49
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(1-adamantyl)-2-bromoethanone;ethane
CID 91508009
1-[1-(1-adamantyl)ethenyl]adamantane
CID 14316817
1-(1-adamantyl)-2-fluoroethanone
CID 4015721
1-(1-adamantyl)-2-chloroethanone
CID 12824145
1-adamantyl-[2,3-bis(adamantane-1-carbonyl)cyclopropyl]methanone
CID 10929489
adamantane-1-carboxylic acid;cobalt
CID 174948331
1-(1-adamantyl)ethylidenezirconium(2+)
CID 87775004
adamantane-1-carboxylic acid;hydrobromide
CID 175234233
adamantane-1-carboxamide
CID 21686
tetrakis(adamantane-1-carboxylate);hafnium(4+)
CID 158683841
1-[1-adamantyl(diazo)methyl]adamantane
CID 12035684
tetrakis(adamantane-1-carboxylate);zirconium(4+)
CID 173130566

Frequently Asked Questions

What is the IUPAC name of bis(1-adamantyl)methanimine?
The IUPAC name of bis(1-adamantyl)methanimine (CID 87876115) is bis(1-adamantyl)methanimine.
What is the SMILES notation for bis(1-adamantyl)methanimine?
The canonical SMILES for bis(1-adamantyl)methanimine is [H]N=C(C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of bis(1-adamantyl)methanimine?
The InChIKey is SYQLEZOLDWUIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N/c22-19(20-7-13-1-14(8-20)3-15(2-13)9-20)21-10-16-4-17(11-21)6-18(5-16)12-21/h13-18,22H,1-12H2.
What are the key properties of bis(1-adamantyl)methanimine?
bis(1-adamantyl)methanimine has a molecular weight of 297.49 g/mol, XLogP of 5.44, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-adamantyl)methanimine is sourced from PubChem (CID 87876115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).