1-adamantyl(methanidyl)azanium

C11H19N — CID 58907453

IUPAC1-adamantyl(methanidyl)azanium
SMILES[CH2-][NH2+]C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C11H19N/c1-12-11-5-8-2-9(6-11)4-10(3-8)7-11/h8-10H,1-7,12H2
InChIKeyWXLVLZZLGNFRGI-UHFFFAOYSA-N
MW165.28 g/mol
LogP1.31
Rot. Bonds1

About 1-adamantyl(methanidyl)azanium

1-adamantyl(methanidyl)azanium (PubChem CID 58907453) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 1-adamantyl(methanidyl)azanium.

Molecular Properties

Compound Name1-adamantyl(methanidyl)azanium
PubChem CID58907453
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name1-adamantyl(methanidyl)azanium
SMILES[CH2-][NH2+]C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C11H19N/c1-12-11-5-8-2-9(6-11)4-10(3-8)7-11/h8-10H,1-7,12H2
InChIKeyWXLVLZZLGNFRGI-UHFFFAOYSA-N
XLogP1.31
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-adamantyl(methanidyl)azanium?
The IUPAC name of 1-adamantyl(methanidyl)azanium (CID 58907453) is 1-adamantyl(methanidyl)azanium.
What is the SMILES notation for 1-adamantyl(methanidyl)azanium?
The canonical SMILES for 1-adamantyl(methanidyl)azanium is [CH2-][NH2+]C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-adamantyl(methanidyl)azanium?
The InChIKey is WXLVLZZLGNFRGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-12-11-5-8-2-9(6-11)4-10(3-8)7-11/h8-10H,1-7,12H2.
What are the key properties of 1-adamantyl(methanidyl)azanium?
1-adamantyl(methanidyl)azanium has a molecular weight of 165.28 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl(methanidyl)azanium is sourced from PubChem (CID 58907453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).