2-adamantylazanium hydroxide

C10H19NO — CID 66728778

IUPAC2-adamantylazanium hydroxide
SMILES[NH3+]C1C2CC3CC(C2)CC1C3.[OH-]
InChIInChI=1S/C10H17N.H2O/c11-10-8-2-6-1-7(4-8)5-9(10)3-6;/h6-10H,1-5,11H2;1H2
InChIKeySGCQOCJKRFFBBZ-UHFFFAOYSA-N
MW169.27 g/mol
LogP0.88
Rot. Bonds

About 2-adamantylazanium hydroxide

2-adamantylazanium hydroxide (PubChem CID 66728778) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-adamantylazanium hydroxide.

Molecular Properties

Compound Name2-adamantylazanium hydroxide
PubChem CID66728778
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2-adamantylazanium hydroxide
SMILES[NH3+]C1C2CC3CC(C2)CC1C3.[OH-]
InChIInChI=1S/C10H17N.H2O/c11-10-8-2-6-1-7(4-8)5-9(10)3-6;/h6-10H,1-5,11H2;1H2
InChIKeySGCQOCJKRFFBBZ-UHFFFAOYSA-N
XLogP0.88
TPSA57.64 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-adamantylazanium hydroxide?
The IUPAC name of 2-adamantylazanium hydroxide (CID 66728778) is 2-adamantylazanium hydroxide.
What is the SMILES notation for 2-adamantylazanium hydroxide?
The canonical SMILES for 2-adamantylazanium hydroxide is [NH3+]C1C2CC3CC(C2)CC1C3.[OH-].
What is the InChIKey of 2-adamantylazanium hydroxide?
The InChIKey is SGCQOCJKRFFBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N.H2O/c11-10-8-2-6-1-7(4-8)5-9(10)3-6;/h6-10H,1-5,11H2;1H2.
What are the key properties of 2-adamantylazanium hydroxide?
2-adamantylazanium hydroxide has a molecular weight of 169.27 g/mol, XLogP of 0.88, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-adamantylazanium hydroxide is sourced from PubChem (CID 66728778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).