(3-phenyl-1-adamantyl)azanium

C16H22N+ — CID 5276629

IUPAC(3-phenyl-1-adamantyl)azanium
SMILES[NH3+]C12CC3CC(C1)CC(c1ccccc1)(C3)C2
InChIInChI=1S/C16H21N/c17-16-9-12-6-13(10-16)8-15(7-12,11-16)14-4-2-1-3-5-14/h1-5,12-13H,6-11,17H2/p+1
InChIKeyMWXAHLMUYMJXTG-UHFFFAOYSA-O
MW228.36 g/mol
LogP2.52
Rot. Bonds1

About (3-phenyl-1-adamantyl)azanium

(3-phenyl-1-adamantyl)azanium (PubChem CID 5276629) has the molecular formula C16H22N+ and a molecular weight of 228.36 g/mol. Its IUPAC name is (3-phenyl-1-adamantyl)azanium.

Molecular Properties

Compound Name(3-phenyl-1-adamantyl)azanium
PubChem CID5276629
Molecular FormulaC16H22N+
Molecular Weight228.36 g/mol
Exact Mass228.17
IUPAC Name(3-phenyl-1-adamantyl)azanium
SMILES[NH3+]C12CC3CC(C1)CC(c1ccccc1)(C3)C2
InChIInChI=1S/C16H21N/c17-16-9-12-6-13(10-16)8-15(7-12,11-16)14-4-2-1-3-5-14/h1-5,12-13H,6-11,17H2/p+1
InChIKeyMWXAHLMUYMJXTG-UHFFFAOYSA-O
XLogP2.52
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (3-phenyl-1-adamantyl)azanium?
The IUPAC name of (3-phenyl-1-adamantyl)azanium (CID 5276629) is (3-phenyl-1-adamantyl)azanium.
What is the SMILES notation for (3-phenyl-1-adamantyl)azanium?
The canonical SMILES for (3-phenyl-1-adamantyl)azanium is [NH3+]C12CC3CC(C1)CC(c1ccccc1)(C3)C2.
What is the InChIKey of (3-phenyl-1-adamantyl)azanium?
The InChIKey is MWXAHLMUYMJXTG-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H21N/c17-16-9-12-6-13(10-16)8-15(7-12,11-16)14-4-2-1-3-5-14/h1-5,12-13H,6-11,17H2/p+1.
What are the key properties of (3-phenyl-1-adamantyl)azanium?
(3-phenyl-1-adamantyl)azanium has a molecular weight of 228.36 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenyl-1-adamantyl)azanium is sourced from PubChem (CID 5276629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).