2-adamantylazanium

C10H18N+ — CID 7058059

IUPAC2-adamantylazanium
SMILES[NH3+]C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C10H17N/c11-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-10H,1-5,11H2/p+1
InChIKeyQZWNXXINFABALM-UHFFFAOYSA-O
MW152.26 g/mol
LogP1.05
Rot. Bonds

About 2-adamantylazanium

2-adamantylazanium (PubChem CID 7058059) has the molecular formula C10H18N+ and a molecular weight of 152.26 g/mol. Its IUPAC name is 2-adamantylazanium.

Molecular Properties

Compound Name2-adamantylazanium
PubChem CID7058059
Molecular FormulaC10H18N+
Molecular Weight152.26 g/mol
Exact Mass152.14
IUPAC Name2-adamantylazanium
SMILES[NH3+]C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C10H17N/c11-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-10H,1-5,11H2/p+1
InChIKeyQZWNXXINFABALM-UHFFFAOYSA-O
XLogP1.05
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.26
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-adamantylazanium?
The IUPAC name of 2-adamantylazanium (CID 7058059) is 2-adamantylazanium.
What is the SMILES notation for 2-adamantylazanium?
The canonical SMILES for 2-adamantylazanium is [NH3+]C1C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-adamantylazanium?
The InChIKey is QZWNXXINFABALM-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H17N/c11-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-10H,1-5,11H2/p+1.
What are the key properties of 2-adamantylazanium?
2-adamantylazanium has a molecular weight of 152.26 g/mol, XLogP of 1.05, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-adamantylazanium is sourced from PubChem (CID 7058059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).