[cyclohexyl(ethyl)amino] acetate

C10H19NO2 — CID 86183362

IUPAC[cyclohexyl(ethyl)amino] acetate
SMILESCCN(OC(C)=O)C1CCCCC1
InChIInChI=1S/C10H19NO2/c1-3-11(13-9(2)12)10-7-5-4-6-8-10/h10H,3-8H2,1-2H3
InChIKeyMUQZTXBAAIGCFM-UHFFFAOYSA-N
MW185.27 g/mol
LogP2.12
Rot. Bonds3

About [cyclohexyl(ethyl)amino] acetate

[cyclohexyl(ethyl)amino] acetate (PubChem CID 86183362) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is [cyclohexyl(ethyl)amino] acetate.

Molecular Properties

Compound Name[cyclohexyl(ethyl)amino] acetate
PubChem CID86183362
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name[cyclohexyl(ethyl)amino] acetate
SMILESCCN(OC(C)=O)C1CCCCC1
InChIInChI=1S/C10H19NO2/c1-3-11(13-9(2)12)10-7-5-4-6-8-10/h10H,3-8H2,1-2H3
InChIKeyMUQZTXBAAIGCFM-UHFFFAOYSA-N
XLogP2.12
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 [cyclohexyl(ethyl)amino] acetate?
The IUPAC name of [cyclohexyl(ethyl)amino] acetate (CID 86183362) is [cyclohexyl(ethyl)amino] acetate.
What is the SMILES notation for [cyclohexyl(ethyl)amino] acetate?
The canonical SMILES for [cyclohexyl(ethyl)amino] acetate is CCN(OC(C)=O)C1CCCCC1.
What is the InChIKey of [cyclohexyl(ethyl)amino] acetate?
The InChIKey is MUQZTXBAAIGCFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-3-11(13-9(2)12)10-7-5-4-6-8-10/h10H,3-8H2,1-2H3.
What are the key properties of [cyclohexyl(ethyl)amino] acetate?
[cyclohexyl(ethyl)amino] acetate has a molecular weight of 185.27 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [cyclohexyl(ethyl)amino] acetate is sourced from PubChem (CID 86183362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).