[1-adamantyl(amino)methylidene]azanium

C11H19N2+ — CID 6338857

IUPAC[1-adamantyl(amino)methylidene]azanium
SMILESNC(=[NH2+])C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C11H18N2/c12-10(13)11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9H,1-6H2,(H3,12,13)/p+1
InChIKeyUMSZZMYJNYFCNL-UHFFFAOYSA-O
MW179.29 g/mol
LogP0.32
Rot. Bonds1

About [1-adamantyl(amino)methylidene]azanium

[1-adamantyl(amino)methylidene]azanium (PubChem CID 6338857) has the molecular formula C11H19N2+ and a molecular weight of 179.29 g/mol. Its IUPAC name is [1-adamantyl(amino)methylidene]azanium.

Molecular Properties

Compound Name[1-adamantyl(amino)methylidene]azanium
PubChem CID6338857
Molecular FormulaC11H19N2+
Molecular Weight179.29 g/mol
Exact Mass179.15
IUPAC Name[1-adamantyl(amino)methylidene]azanium
SMILESNC(=[NH2+])C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C11H18N2/c12-10(13)11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9H,1-6H2,(H3,12,13)/p+1
InChIKeyUMSZZMYJNYFCNL-UHFFFAOYSA-O
XLogP0.32
TPSA51.61 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.29
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-adamantyl(amino)methylidene]azanium?
The IUPAC name of [1-adamantyl(amino)methylidene]azanium (CID 6338857) is [1-adamantyl(amino)methylidene]azanium.
What is the SMILES notation for [1-adamantyl(amino)methylidene]azanium?
The canonical SMILES for [1-adamantyl(amino)methylidene]azanium is NC(=[NH2+])C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of [1-adamantyl(amino)methylidene]azanium?
The InChIKey is UMSZZMYJNYFCNL-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H18N2/c12-10(13)11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9H,1-6H2,(H3,12,13)/p+1.
What are the key properties of [1-adamantyl(amino)methylidene]azanium?
[1-adamantyl(amino)methylidene]azanium has a molecular weight of 179.29 g/mol, XLogP of 0.32, 1 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [1-adamantyl(amino)methylidene]azanium is sourced from PubChem (CID 6338857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).