1-adamantyl(prop-2-enyl)azanium

C13H22N+ — CID 7312723

IUPAC1-adamantyl(prop-2-enyl)azanium
SMILESC=CC[NH2+]C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C13H21N/c1-2-3-14-13-7-10-4-11(8-13)6-12(5-10)9-13/h2,10-12,14H,1,3-9H2/p+1
InChIKeyQLZNOUKGNJGEMZ-UHFFFAOYSA-O
MW192.33 g/mol
LogP1.70
Rot. Bonds3

About 1-adamantyl(prop-2-enyl)azanium

1-adamantyl(prop-2-enyl)azanium (PubChem CID 7312723) has the molecular formula C13H22N+ and a molecular weight of 192.33 g/mol. Its IUPAC name is 1-adamantyl(prop-2-enyl)azanium.

Molecular Properties

Compound Name1-adamantyl(prop-2-enyl)azanium
PubChem CID7312723
Molecular FormulaC13H22N+
Molecular Weight192.33 g/mol
Exact Mass192.17
IUPAC Name1-adamantyl(prop-2-enyl)azanium
SMILESC=CC[NH2+]C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C13H21N/c1-2-3-14-13-7-10-4-11(8-13)6-12(5-10)9-13/h2,10-12,14H,1,3-9H2/p+1
InChIKeyQLZNOUKGNJGEMZ-UHFFFAOYSA-O
XLogP1.70
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.33
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-adamantyl(prop-2-enyl)azanium?
The IUPAC name of 1-adamantyl(prop-2-enyl)azanium (CID 7312723) is 1-adamantyl(prop-2-enyl)azanium.
What is the SMILES notation for 1-adamantyl(prop-2-enyl)azanium?
The canonical SMILES for 1-adamantyl(prop-2-enyl)azanium is C=CC[NH2+]C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-adamantyl(prop-2-enyl)azanium?
The InChIKey is QLZNOUKGNJGEMZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H21N/c1-2-3-14-13-7-10-4-11(8-13)6-12(5-10)9-13/h2,10-12,14H,1,3-9H2/p+1.
What are the key properties of 1-adamantyl(prop-2-enyl)azanium?
1-adamantyl(prop-2-enyl)azanium has a molecular weight of 192.33 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl(prop-2-enyl)azanium is sourced from PubChem (CID 7312723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).