2-amino-2-ethoxy-1-(2-methylcyclohexen-1-yl)ethanone

C11H19NO2 — CID 56635775

IUPAC2-amino-2-ethoxy-1-(2-methylcyclohexen-1-yl)ethanone
SMILESCCOC(N)C(=O)C1=C(C)CCCC1
InChIInChI=1S/C11H19NO2/c1-3-14-11(12)10(13)9-7-5-4-6-8(9)2/h11H,3-7,12H2,1-2H3
InChIKeyWNTZMXSOUGJGCK-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.77
Rot. Bonds4

About 2-amino-2-ethoxy-1-(2-methylcyclohexen-1-yl)ethanone

2-amino-2-ethoxy-1-(2-methylcyclohexen-1-yl)ethanone (PubChem CID 56635775) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-amino-2-ethoxy-1-(2-methylcyclohexen-1-yl)ethanone.

Molecular Properties

Compound Name2-amino-2-ethoxy-1-(2-methylcyclohexen-1-yl)ethanone
PubChem CID56635775
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name2-amino-2-ethoxy-1-(2-methylcyclohexen-1-yl)ethanone
SMILESCCOC(N)C(=O)C1=C(C)CCCC1
InChIInChI=1S/C11H19NO2/c1-3-14-11(12)10(13)9-7-5-4-6-8(9)2/h11H,3-7,12H2,1-2H3
InChIKeyWNTZMXSOUGJGCK-UHFFFAOYSA-N
XLogP1.77
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-ethoxy-1-(2-methylcyclohexen-1-yl)ethanone?
The IUPAC name of 2-amino-2-ethoxy-1-(2-methylcyclohexen-1-yl)ethanone (CID 56635775) is 2-amino-2-ethoxy-1-(2-methylcyclohexen-1-yl)ethanone.
What is the SMILES notation for 2-amino-2-ethoxy-1-(2-methylcyclohexen-1-yl)ethanone?
The canonical SMILES for 2-amino-2-ethoxy-1-(2-methylcyclohexen-1-yl)ethanone is CCOC(N)C(=O)C1=C(C)CCCC1.
What is the InChIKey of 2-amino-2-ethoxy-1-(2-methylcyclohexen-1-yl)ethanone?
The InChIKey is WNTZMXSOUGJGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-3-14-11(12)10(13)9-7-5-4-6-8(9)2/h11H,3-7,12H2,1-2H3.
What are the key properties of 2-amino-2-ethoxy-1-(2-methylcyclohexen-1-yl)ethanone?
2-amino-2-ethoxy-1-(2-methylcyclohexen-1-yl)ethanone has a molecular weight of 197.28 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-ethoxy-1-(2-methylcyclohexen-1-yl)ethanone is sourced from PubChem (CID 56635775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).