2-(2-aminoethoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide

C12H22N2O2 — CID 79473026

IUPAC2-(2-aminoethoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
SMILESNCCOCC(=O)NCCC1=CCCCC1
InChIInChI=1S/C12H22N2O2/c13-7-9-16-10-12(15)14-8-6-11-4-2-1-3-5-11/h4H,1-3,5-10,13H2,(H,14,15)
InChIKeyKBWTZZGCDZBPQH-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.97
Rot. Bonds7

About 2-(2-aminoethoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide

2-(2-aminoethoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide (PubChem CID 79473026) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-aminoethoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
PubChem CID79473026
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name2-(2-aminoethoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
SMILESNCCOCC(=O)NCCC1=CCCCC1
InChIInChI=1S/C12H22N2O2/c13-7-9-16-10-12(15)14-8-6-11-4-2-1-3-5-11/h4H,1-3,5-10,13H2,(H,14,15)
InChIKeyKBWTZZGCDZBPQH-UHFFFAOYSA-N
XLogP0.97
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
The IUPAC name of 2-(2-aminoethoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide (CID 79473026) is 2-(2-aminoethoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2-aminoethoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(2-aminoethoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide is NCCOCC(=O)NCCC1=CCCCC1.
What is the InChIKey of 2-(2-aminoethoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
The InChIKey is KBWTZZGCDZBPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c13-7-9-16-10-12(15)14-8-6-11-4-2-1-3-5-11/h4H,1-3,5-10,13H2,(H,14,15).
What are the key properties of 2-(2-aminoethoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
2-(2-aminoethoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide has a molecular weight of 226.32 g/mol, XLogP of 0.97, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide is sourced from PubChem (CID 79473026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).