2-[[2-ethoxyethyl(ethyl)amino]methyl]cyclopentan-1-one

C12H23NO2 — CID 63692304

IUPAC2-[[2-ethoxyethyl(ethyl)amino]methyl]cyclopentan-1-one
SMILESCCOCCN(CC)CC1CCCC1=O
InChIInChI=1S/C12H23NO2/c1-3-13(8-9-15-4-2)10-11-6-5-7-12(11)14/h11H,3-10H2,1-2H3
InChIKeyCSSXZWNTZQOIMU-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.71
Rot. Bonds7

About 2-[[2-ethoxyethyl(ethyl)amino]methyl]cyclopentan-1-one

2-[[2-ethoxyethyl(ethyl)amino]methyl]cyclopentan-1-one (PubChem CID 63692304) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-[[2-ethoxyethyl(ethyl)amino]methyl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[[2-ethoxyethyl(ethyl)amino]methyl]cyclopentan-1-one
PubChem CID63692304
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2-[[2-ethoxyethyl(ethyl)amino]methyl]cyclopentan-1-one
SMILESCCOCCN(CC)CC1CCCC1=O
InChIInChI=1S/C12H23NO2/c1-3-13(8-9-15-4-2)10-11-6-5-7-12(11)14/h11H,3-10H2,1-2H3
InChIKeyCSSXZWNTZQOIMU-UHFFFAOYSA-N
XLogP1.71
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-ethoxyethyl(ethyl)amino]methyl]cyclopentan-1-one?
The IUPAC name of 2-[[2-ethoxyethyl(ethyl)amino]methyl]cyclopentan-1-one (CID 63692304) is 2-[[2-ethoxyethyl(ethyl)amino]methyl]cyclopentan-1-one.
What is the SMILES notation for 2-[[2-ethoxyethyl(ethyl)amino]methyl]cyclopentan-1-one?
The canonical SMILES for 2-[[2-ethoxyethyl(ethyl)amino]methyl]cyclopentan-1-one is CCOCCN(CC)CC1CCCC1=O.
What is the InChIKey of 2-[[2-ethoxyethyl(ethyl)amino]methyl]cyclopentan-1-one?
The InChIKey is CSSXZWNTZQOIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-3-13(8-9-15-4-2)10-11-6-5-7-12(11)14/h11H,3-10H2,1-2H3.
What are the key properties of 2-[[2-ethoxyethyl(ethyl)amino]methyl]cyclopentan-1-one?
2-[[2-ethoxyethyl(ethyl)amino]methyl]cyclopentan-1-one has a molecular weight of 213.32 g/mol, XLogP of 1.71, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-ethoxyethyl(ethyl)amino]methyl]cyclopentan-1-one is sourced from PubChem (CID 63692304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).