cyclohexylazanium acetate

C8H17NO2 — CID 53431162

IUPACcyclohexylazanium acetate
SMILESCC(=O)[O-].[NH3+]C1CCCCC1
InChIInChI=1S/C6H13N.C2H4O2/c7-6-4-2-1-3-5-6;1-2(3)4/h6H,1-5,7H2;1H3,(H,3,4)
InChIKeyXDMMMGGRRNTWML-UHFFFAOYSA-N
MW159.23 g/mol
LogP-0.68
Rot. Bonds

About cyclohexylazanium acetate

cyclohexylazanium acetate (PubChem CID 53431162) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is cyclohexylazanium acetate.

Molecular Properties

Compound Namecyclohexylazanium acetate
PubChem CID53431162
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Namecyclohexylazanium acetate
SMILESCC(=O)[O-].[NH3+]C1CCCCC1
InChIInChI=1S/C6H13N.C2H4O2/c7-6-4-2-1-3-5-6;1-2(3)4/h6H,1-5,7H2;1H3,(H,3,4)
InChIKeyXDMMMGGRRNTWML-UHFFFAOYSA-N
XLogP-0.68
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 5-0.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclohexylazanium acetate?
The IUPAC name of cyclohexylazanium acetate (CID 53431162) is cyclohexylazanium acetate.
What is the SMILES notation for cyclohexylazanium acetate?
The canonical SMILES for cyclohexylazanium acetate is CC(=O)[O-].[NH3+]C1CCCCC1.
What is the InChIKey of cyclohexylazanium acetate?
The InChIKey is XDMMMGGRRNTWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.C2H4O2/c7-6-4-2-1-3-5-6;1-2(3)4/h6H,1-5,7H2;1H3,(H,3,4).
What are the key properties of cyclohexylazanium acetate?
cyclohexylazanium acetate has a molecular weight of 159.23 g/mol, XLogP of -0.68, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylazanium acetate is sourced from PubChem (CID 53431162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).