2-(2-aminoethoxy)-1-(cyclohexen-1-yl)ethanone

C10H17NO2 — CID 106655526

IUPAC2-(2-aminoethoxy)-1-(cyclohexen-1-yl)ethanone
SMILESNCCOCC(=O)C1=CCCCC1
InChIInChI=1S/C10H17NO2/c11-6-7-13-8-10(12)9-4-2-1-3-5-9/h4H,1-3,5-8,11H2
InChIKeyWWWZKGMCRWRNOT-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.03
Rot. Bonds5

About 2-(2-aminoethoxy)-1-(cyclohexen-1-yl)ethanone

2-(2-aminoethoxy)-1-(cyclohexen-1-yl)ethanone (PubChem CID 106655526) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-1-(cyclohexen-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-aminoethoxy)-1-(cyclohexen-1-yl)ethanone
PubChem CID106655526
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name2-(2-aminoethoxy)-1-(cyclohexen-1-yl)ethanone
SMILESNCCOCC(=O)C1=CCCCC1
InChIInChI=1S/C10H17NO2/c11-6-7-13-8-10(12)9-4-2-1-3-5-9/h4H,1-3,5-8,11H2
InChIKeyWWWZKGMCRWRNOT-UHFFFAOYSA-N
XLogP1.03
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(cycloocten-1-yl)-2-ethoxyethanone
CID 106651939
3-amino-1-(cyclohepten-1-yl)propan-1-one
CID 106655124
cycloheptene-1-carboxamide
CID 22261654
hydroxymethyl cyclohexene-1-carboxylate
CID 91001163
3-amino-1-(cyclohexen-1-yl)-3-methylbutan-1-one
CID 106655429
2-[2-(aminomethyl)phenyl]-1-(cyclohexen-1-yl)ethanone
CID 106655576
6-amino-1-(cyclohexen-1-yl)-4-ethylhexan-1-one
CID 106655401
1-(cyclohexen-1-yl)-4-hydroxybutan-1-one
CID 106677690
2-[1-(aminomethyl)cyclohexyl]-1-(cyclohexen-1-yl)ethanone
CID 106655745
1-(cyclohexen-1-yl)-2-(1-oxidopyrrolidin-1-ium-1-yl)ethanone
CID 163912619
2-cyclohexyl-1-(cycloocten-1-yl)ethanone
CID 106655870
1-(cyclohexen-1-yl)-3-(4-methoxyphenyl)propan-1-one
CID 62078293

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)-1-(cyclohexen-1-yl)ethanone?
The IUPAC name of 2-(2-aminoethoxy)-1-(cyclohexen-1-yl)ethanone (CID 106655526) is 2-(2-aminoethoxy)-1-(cyclohexen-1-yl)ethanone.
What is the SMILES notation for 2-(2-aminoethoxy)-1-(cyclohexen-1-yl)ethanone?
The canonical SMILES for 2-(2-aminoethoxy)-1-(cyclohexen-1-yl)ethanone is NCCOCC(=O)C1=CCCCC1.
What is the InChIKey of 2-(2-aminoethoxy)-1-(cyclohexen-1-yl)ethanone?
The InChIKey is WWWZKGMCRWRNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c11-6-7-13-8-10(12)9-4-2-1-3-5-9/h4H,1-3,5-8,11H2.
What are the key properties of 2-(2-aminoethoxy)-1-(cyclohexen-1-yl)ethanone?
2-(2-aminoethoxy)-1-(cyclohexen-1-yl)ethanone has a molecular weight of 183.25 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)-1-(cyclohexen-1-yl)ethanone is sourced from PubChem (CID 106655526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).