1-adamantylazanium hydroxide

C10H19NO — CID 66728776

IUPAC1-adamantylazanium hydroxide
SMILES[NH3+]C12CC3CC(CC(C3)C1)C2.[OH-]
InChIInChI=1S/C10H17N.H2O/c11-10-4-7-1-8(5-10)3-9(2-7)6-10;/h7-9H,1-6,11H2;1H2
InChIKeyIDUROJFOPXMBQU-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.02
Rot. Bonds

About 1-adamantylazanium hydroxide

1-adamantylazanium hydroxide (PubChem CID 66728776) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-adamantylazanium hydroxide.

Molecular Properties

Compound Name1-adamantylazanium hydroxide
PubChem CID66728776
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name1-adamantylazanium hydroxide
SMILES[NH3+]C12CC3CC(CC(C3)C1)C2.[OH-]
InChIInChI=1S/C10H17N.H2O/c11-10-4-7-1-8(5-10)3-9(2-7)6-10;/h7-9H,1-6,11H2;1H2
InChIKeyIDUROJFOPXMBQU-UHFFFAOYSA-N
XLogP1.02
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 ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-adamantylazanium thiocyanate
CID 2777914
1-adamantylazanium nitrate
CID 165175397
CID 87817296
CID 87817296
N-methyladamantan-1-amine
CID 19476
Adamantylsilicone
CID 18798576
adamantane;1-methyladamantane
CID 53425859
CID 15129445
CID 15129445
adamantan-1-ol;azane
CID 66728775
sodium adamantan-1-olate
CID 23673189
lithium adamantan-1-olate
CID 23682470
azanium;adamantane;hydroxide
CID 139557020
1-adamantyl(trimethyl)azanium;hydroxide;hydrate
CID 132987838

Frequently Asked Questions

What is the IUPAC name of 1-adamantylazanium hydroxide?
The IUPAC name of 1-adamantylazanium hydroxide (CID 66728776) is 1-adamantylazanium hydroxide.
What is the SMILES notation for 1-adamantylazanium hydroxide?
The canonical SMILES for 1-adamantylazanium hydroxide is [NH3+]C12CC3CC(CC(C3)C1)C2.[OH-].
What is the InChIKey of 1-adamantylazanium hydroxide?
The InChIKey is IDUROJFOPXMBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N.H2O/c11-10-4-7-1-8(5-10)3-9(2-7)6-10;/h7-9H,1-6,11H2;1H2.
What are the key properties of 1-adamantylazanium hydroxide?
1-adamantylazanium hydroxide has a molecular weight of 169.27 g/mol, XLogP of 1.02, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantylazanium hydroxide is sourced from PubChem (CID 66728776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).