[1-(acetyloxymethyl)cyclohexyl]methylazanium

C10H20NO2+ — CID 144957901

IUPAC[1-(acetyloxymethyl)cyclohexyl]methylazanium
SMILESCC(=O)OCC1(C[NH3+])CCCCC1
InChIInChI=1S/C10H19NO2/c1-9(12)13-8-10(7-11)5-3-2-4-6-10/h2-8,11H2,1H3/p+1
InChIKeyZTQLEUUMFVZGSZ-UHFFFAOYSA-O
MW186.27 g/mol
LogP0.74
Rot. Bonds3

About [1-(acetyloxymethyl)cyclohexyl]methylazanium

[1-(acetyloxymethyl)cyclohexyl]methylazanium (PubChem CID 144957901) has the molecular formula C10H20NO2+ and a molecular weight of 186.27 g/mol. Its IUPAC name is [1-(acetyloxymethyl)cyclohexyl]methylazanium.

Molecular Properties

Compound Name[1-(acetyloxymethyl)cyclohexyl]methylazanium
PubChem CID144957901
Molecular FormulaC10H20NO2+
Molecular Weight186.27 g/mol
Exact Mass186.15
IUPAC Name[1-(acetyloxymethyl)cyclohexyl]methylazanium
SMILESCC(=O)OCC1(C[NH3+])CCCCC1
InChIInChI=1S/C10H19NO2/c1-9(12)13-8-10(7-11)5-3-2-4-6-10/h2-8,11H2,1H3/p+1
InChIKeyZTQLEUUMFVZGSZ-UHFFFAOYSA-O
XLogP0.74
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.27
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(acetyloxymethyl)cyclohexyl]methylazanium?
The IUPAC name of [1-(acetyloxymethyl)cyclohexyl]methylazanium (CID 144957901) is [1-(acetyloxymethyl)cyclohexyl]methylazanium.
What is the SMILES notation for [1-(acetyloxymethyl)cyclohexyl]methylazanium?
The canonical SMILES for [1-(acetyloxymethyl)cyclohexyl]methylazanium is CC(=O)OCC1(C[NH3+])CCCCC1.
What is the InChIKey of [1-(acetyloxymethyl)cyclohexyl]methylazanium?
The InChIKey is ZTQLEUUMFVZGSZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H19NO2/c1-9(12)13-8-10(7-11)5-3-2-4-6-10/h2-8,11H2,1H3/p+1.
What are the key properties of [1-(acetyloxymethyl)cyclohexyl]methylazanium?
[1-(acetyloxymethyl)cyclohexyl]methylazanium has a molecular weight of 186.27 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(acetyloxymethyl)cyclohexyl]methylazanium is sourced from PubChem (CID 144957901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).