1-adamantylazanium;hydrogen carbonate

C11H19NO3 — CID 159615620

IUPAC1-adamantylazanium;hydrogen carbonate
SMILESO=C([O-])O.[NH3+]C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C10H17N.CH2O3/c11-10-4-7-1-8(5-10)3-9(2-7)6-10;2-1(3)4/h7-9H,1-6,11H2;(H2,2,3,4)
InChIKeyMNGAYODFWMSCMV-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.08
Rot. Bonds

About 1-adamantylazanium;hydrogen carbonate

1-adamantylazanium;hydrogen carbonate (PubChem CID 159615620) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-adamantylazanium;hydrogen carbonate.

Molecular Properties

Compound Name1-adamantylazanium;hydrogen carbonate
PubChem CID159615620
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name1-adamantylazanium;hydrogen carbonate
SMILESO=C([O-])O.[NH3+]C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C10H17N.CH2O3/c11-10-4-7-1-8(5-10)3-9(2-7)6-10;2-1(3)4/h7-9H,1-6,11H2;(H2,2,3,4)
InChIKeyMNGAYODFWMSCMV-UHFFFAOYSA-N
XLogP0.08
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-adamantylazanium;hydrogen carbonate?
The IUPAC name of 1-adamantylazanium;hydrogen carbonate (CID 159615620) is 1-adamantylazanium;hydrogen carbonate.
What is the SMILES notation for 1-adamantylazanium;hydrogen carbonate?
The canonical SMILES for 1-adamantylazanium;hydrogen carbonate is O=C([O-])O.[NH3+]C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-adamantylazanium;hydrogen carbonate?
The InChIKey is MNGAYODFWMSCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N.CH2O3/c11-10-4-7-1-8(5-10)3-9(2-7)6-10;2-1(3)4/h7-9H,1-6,11H2;(H2,2,3,4).
What are the key properties of 1-adamantylazanium;hydrogen carbonate?
1-adamantylazanium;hydrogen carbonate has a molecular weight of 213.28 g/mol, XLogP of 0.08, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantylazanium;hydrogen carbonate is sourced from PubChem (CID 159615620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).