2-(1-adamantyloxy)ethyl-methylazanium

C13H24NO+ — CID 7321805

IUPAC2-(1-adamantyloxy)ethyl-methylazanium
SMILESC[NH2+]CCOC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C13H23NO/c1-14-2-3-15-13-7-10-4-11(8-13)6-12(5-10)9-13/h10-12,14H,2-9H2,1H3/p+1
InChIKeyHZNIQRLHMIVOQM-UHFFFAOYSA-O
MW210.34 g/mol
LogP1.16
Rot. Bonds4

About 2-(1-adamantyloxy)ethyl-methylazanium

2-(1-adamantyloxy)ethyl-methylazanium (PubChem CID 7321805) has the molecular formula C13H24NO+ and a molecular weight of 210.34 g/mol. Its IUPAC name is 2-(1-adamantyloxy)ethyl-methylazanium.

Molecular Properties

Compound Name2-(1-adamantyloxy)ethyl-methylazanium
PubChem CID7321805
Molecular FormulaC13H24NO+
Molecular Weight210.34 g/mol
Exact Mass210.19
IUPAC Name2-(1-adamantyloxy)ethyl-methylazanium
SMILESC[NH2+]CCOC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C13H23NO/c1-14-2-3-15-13-7-10-4-11(8-13)6-12(5-10)9-13/h10-12,14H,2-9H2,1H3/p+1
InChIKeyHZNIQRLHMIVOQM-UHFFFAOYSA-O
XLogP1.16
TPSA25.84 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.34
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-bromoethoxy)adamantane
CID 2379498
2-(1-adamantyloxy)-N-methylethanamine;hydrochloride
CID 2975551
2-[2-[2-[2-(1-adamantyloxy)ethoxy]ethoxy]ethoxy]ethyl methanesulfonate
CID 90013927
2-[2-[2-[2-[2-[2-(1-adamantyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate
CID 90013877
4-(1-adamantyloxy)butyl acetate
CID 134839652
1-(butoxymethoxy)adamantane
CID 11310968
1-[2-(1-adamantyloxy)ethyl]pyrrole
CID 4918979
1-methoxyadamantane
CID 584854
1-prop-2-ynoxyadamantane
CID 10420045
2-(1-adamantyloxy)ethyl-dodecyl-dimethylazanium bromide
CID 70602461
1-(1-adamantyloxy)-3-chloropropan-2-ol
CID 14612632
1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]adamantane
CID 90013445

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyloxy)ethyl-methylazanium?
The IUPAC name of 2-(1-adamantyloxy)ethyl-methylazanium (CID 7321805) is 2-(1-adamantyloxy)ethyl-methylazanium.
What is the SMILES notation for 2-(1-adamantyloxy)ethyl-methylazanium?
The canonical SMILES for 2-(1-adamantyloxy)ethyl-methylazanium is C[NH2+]CCOC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-(1-adamantyloxy)ethyl-methylazanium?
The InChIKey is HZNIQRLHMIVOQM-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H23NO/c1-14-2-3-15-13-7-10-4-11(8-13)6-12(5-10)9-13/h10-12,14H,2-9H2,1H3/p+1.
What are the key properties of 2-(1-adamantyloxy)ethyl-methylazanium?
2-(1-adamantyloxy)ethyl-methylazanium has a molecular weight of 210.34 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyloxy)ethyl-methylazanium is sourced from PubChem (CID 7321805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).