azanium 3,5,7-trimethyladamantan-1-olate

C13H25NO — CID 142767808

IUPACazanium 3,5,7-trimethyladamantan-1-olate
SMILESCC12CC3(C)CC(C)(C1)CC([O-])(C2)C3.[NH4+]
InChIInChI=1S/C13H21O.H3N/c1-10-4-11(2)6-12(3,5-10)9-13(14,7-10)8-11;/h4-9H2,1-3H3;1H3/q-1;/p+1
InChIKeyHRCTZUWMSZRLMF-UHFFFAOYSA-O
MW211.35 g/mol
LogP2.86
Rot. Bonds

About azanium 3,5,7-trimethyladamantan-1-olate

azanium 3,5,7-trimethyladamantan-1-olate (PubChem CID 142767808) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is azanium 3,5,7-trimethyladamantan-1-olate.

Molecular Properties

Compound Nameazanium 3,5,7-trimethyladamantan-1-olate
PubChem CID142767808
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Nameazanium 3,5,7-trimethyladamantan-1-olate
SMILESCC12CC3(C)CC(C)(C1)CC([O-])(C2)C3.[NH4+]
InChIInChI=1S/C13H21O.H3N/c1-10-4-11(2)6-12(3,5-10)9-13(14,7-10)8-11;/h4-9H2,1-3H3;1H3/q-1;/p+1
InChIKeyHRCTZUWMSZRLMF-UHFFFAOYSA-O
XLogP2.86
TPSA59.56 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,3,5,7-tetramethyltricyclo[3.3.1.03,7]nonane
CID 140892092
5,7-dimethyltetracyclo[3.3.1.13,7.01,3]decane
CID 101114626
[3,5-dimethyl-7-(trimethylazaniumyl)-1-adamantyl]-trimethylazanium
CID 139145155
1-fluoro-3,5,7-trimethyladamantane
CID 23235267
bis(1,3,5,7-tetramethyladamantane);1,3,5-trimethyladamantane
CID 158906766
3,5,7-trimethyl-1-azatricyclo[3.3.1.13,7]decane
CID 4702161
3-methylbicyclo[1.1.1]pentan-1-amine;hydrochloride
CID 86010396
1,3-bis(ethenyl)-5,7-dimethyladamantane;1-ethenyl-3,5,7-trimethyladamantane
CID 159055712
1,4-dimethylbicyclo[2.1.1]hexane;bis(1,4-dimethylbicyclo[2.2.2]octane);1,3-dimethylbicyclo[1.1.1]pentane;1,4-dimethylcubane
CID 167594424
2-methyl-3-(3,5,7-trimethyl-1-adamantyl)oxirane
CID 59904260
(5S,7R)-3-bromo-5,7-dimethyladamantan-1-amine
CID 78333432
1-ethynyl-3-methylbicyclo[1.1.1]pentane
CID 167548850

Frequently Asked Questions

What is the IUPAC name of azanium 3,5,7-trimethyladamantan-1-olate?
The IUPAC name of azanium 3,5,7-trimethyladamantan-1-olate (CID 142767808) is azanium 3,5,7-trimethyladamantan-1-olate.
What is the SMILES notation for azanium 3,5,7-trimethyladamantan-1-olate?
The canonical SMILES for azanium 3,5,7-trimethyladamantan-1-olate is CC12CC3(C)CC(C)(C1)CC([O-])(C2)C3.[NH4+].
What is the InChIKey of azanium 3,5,7-trimethyladamantan-1-olate?
The InChIKey is HRCTZUWMSZRLMF-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H21O.H3N/c1-10-4-11(2)6-12(3,5-10)9-13(14,7-10)8-11;/h4-9H2,1-3H3;1H3/q-1;/p+1.
What are the key properties of azanium 3,5,7-trimethyladamantan-1-olate?
azanium 3,5,7-trimethyladamantan-1-olate has a molecular weight of 211.35 g/mol, XLogP of 2.86, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azanium 3,5,7-trimethyladamantan-1-olate is sourced from PubChem (CID 142767808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).