2-(3-phenyl-1-adamantyl)ethylazanium

C18H26N+ — CID 5276626

IUPAC2-(3-phenyl-1-adamantyl)ethylazanium
SMILES[NH3+]CCC12CC3CC(C1)CC(c1ccccc1)(C3)C2
InChIInChI=1S/C18H25N/c19-7-6-17-9-14-8-15(10-17)12-18(11-14,13-17)16-4-2-1-3-5-16/h1-5,14-15H,6-13,19H2/p+1
InChIKeyAJFBUASPHADRFO-UHFFFAOYSA-O
MW256.41 g/mol
LogP3.16
Rot. Bonds3

About 2-(3-phenyl-1-adamantyl)ethylazanium

2-(3-phenyl-1-adamantyl)ethylazanium (PubChem CID 5276626) has the molecular formula C18H26N+ and a molecular weight of 256.41 g/mol. Its IUPAC name is 2-(3-phenyl-1-adamantyl)ethylazanium.

Molecular Properties

Compound Name2-(3-phenyl-1-adamantyl)ethylazanium
PubChem CID5276626
Molecular FormulaC18H26N+
Molecular Weight256.41 g/mol
Exact Mass256.21
IUPAC Name2-(3-phenyl-1-adamantyl)ethylazanium
SMILES[NH3+]CCC12CC3CC(C1)CC(c1ccccc1)(C3)C2
InChIInChI=1S/C18H25N/c19-7-6-17-9-14-8-15(10-17)12-18(11-14,13-17)16-4-2-1-3-5-16/h1-5,14-15H,6-13,19H2/p+1
InChIKeyAJFBUASPHADRFO-UHFFFAOYSA-O
XLogP3.16
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-(3-phenyl-1-adamantyl)ethylazanium?
The IUPAC name of 2-(3-phenyl-1-adamantyl)ethylazanium (CID 5276626) is 2-(3-phenyl-1-adamantyl)ethylazanium.
What is the SMILES notation for 2-(3-phenyl-1-adamantyl)ethylazanium?
The canonical SMILES for 2-(3-phenyl-1-adamantyl)ethylazanium is [NH3+]CCC12CC3CC(C1)CC(c1ccccc1)(C3)C2.
What is the InChIKey of 2-(3-phenyl-1-adamantyl)ethylazanium?
The InChIKey is AJFBUASPHADRFO-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H25N/c19-7-6-17-9-14-8-15(10-17)12-18(11-14,13-17)16-4-2-1-3-5-16/h1-5,14-15H,6-13,19H2/p+1.
What are the key properties of 2-(3-phenyl-1-adamantyl)ethylazanium?
2-(3-phenyl-1-adamantyl)ethylazanium has a molecular weight of 256.41 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenyl-1-adamantyl)ethylazanium is sourced from PubChem (CID 5276626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).