bis(2-adamantyl)methylideneazanium

C21H32N+ — CID 7224676

IUPACbis(2-adamantyl)methylideneazanium
SMILES[NH2+]=C(C1C2CC3CC(C2)CC1C3)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C21H31N/c22-21(19-15-3-11-1-12(5-15)6-16(19)4-11)20-17-7-13-2-14(9-17)10-18(20)8-13/h11-20,22H,1-10H2/p+1
InChIKeyKQXNKGZIULLKAU-UHFFFAOYSA-O
MW298.49 g/mol
LogP3.33
Rot. Bonds2

About bis(2-adamantyl)methylideneazanium

bis(2-adamantyl)methylideneazanium (PubChem CID 7224676) has the molecular formula C21H32N+ and a molecular weight of 298.49 g/mol. Its IUPAC name is bis(2-adamantyl)methylideneazanium.

Molecular Properties

Compound Namebis(2-adamantyl)methylideneazanium
PubChem CID7224676
Molecular FormulaC21H32N+
Molecular Weight298.49 g/mol
Exact Mass298.25
IUPAC Namebis(2-adamantyl)methylideneazanium
SMILES[NH2+]=C(C1C2CC3CC(C2)CC1C3)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C21H31N/c22-21(19-15-3-11-1-12(5-15)6-16(19)4-11)20-17-7-13-2-14(9-17)10-18(20)8-13/h11-20,22H,1-10H2/p+1
InChIKeyKQXNKGZIULLKAU-UHFFFAOYSA-O
XLogP3.33
TPSA25.59 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.49
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(2-adamantyl)methylideneazanium?
The IUPAC name of bis(2-adamantyl)methylideneazanium (CID 7224676) is bis(2-adamantyl)methylideneazanium.
What is the SMILES notation for bis(2-adamantyl)methylideneazanium?
The canonical SMILES for bis(2-adamantyl)methylideneazanium is [NH2+]=C(C1C2CC3CC(C2)CC1C3)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of bis(2-adamantyl)methylideneazanium?
The InChIKey is KQXNKGZIULLKAU-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H31N/c22-21(19-15-3-11-1-12(5-15)6-16(19)4-11)20-17-7-13-2-14(9-17)10-18(20)8-13/h11-20,22H,1-10H2/p+1.
What are the key properties of bis(2-adamantyl)methylideneazanium?
bis(2-adamantyl)methylideneazanium has a molecular weight of 298.49 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-adamantyl)methylideneazanium is sourced from PubChem (CID 7224676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).