amino acetate;cyclohexanamine

C8H18N2O2 — CID 90205802

IUPACamino acetate;cyclohexanamine
SMILESCC(=O)ON.NC1CCCCC1
InChIInChI=1S/C6H13N.C2H5NO2/c7-6-4-2-1-3-5-6;1-2(4)5-3/h6H,1-5,7H2;3H2,1H3
InChIKeyGIIZORNPXKHIED-UHFFFAOYSA-N
MW174.24 g/mol
LogP0.70
Rot. Bonds

About amino acetate;cyclohexanamine

amino acetate;cyclohexanamine (PubChem CID 90205802) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is amino acetate;cyclohexanamine.

Molecular Properties

Compound Nameamino acetate;cyclohexanamine
PubChem CID90205802
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Nameamino acetate;cyclohexanamine
SMILESCC(=O)ON.NC1CCCCC1
InChIInChI=1S/C6H13N.C2H5NO2/c7-6-4-2-1-3-5-6;1-2(4)5-3/h6H,1-5,7H2;3H2,1H3
InChIKeyGIIZORNPXKHIED-UHFFFAOYSA-N
XLogP0.70
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of amino acetate;cyclohexanamine?
The IUPAC name of amino acetate;cyclohexanamine (CID 90205802) is amino acetate;cyclohexanamine.
What is the SMILES notation for amino acetate;cyclohexanamine?
The canonical SMILES for amino acetate;cyclohexanamine is CC(=O)ON.NC1CCCCC1.
What is the InChIKey of amino acetate;cyclohexanamine?
The InChIKey is GIIZORNPXKHIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.C2H5NO2/c7-6-4-2-1-3-5-6;1-2(4)5-3/h6H,1-5,7H2;3H2,1H3.
What are the key properties of amino acetate;cyclohexanamine?
amino acetate;cyclohexanamine has a molecular weight of 174.24 g/mol, XLogP of 0.70, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for amino acetate;cyclohexanamine is sourced from PubChem (CID 90205802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).