2-[[2-ethoxyethyl(ethyl)amino]methyl]-4-propylcyclohexan-1-one

C16H31NO2 — CID 55225565

IUPAC2-[[2-ethoxyethyl(ethyl)amino]methyl]-4-propylcyclohexan-1-one
SMILESCCCC1CCC(=O)C(CN(CC)CCOCC)C1
InChIInChI=1S/C16H31NO2/c1-4-7-14-8-9-16(18)15(12-14)13-17(5-2)10-11-19-6-3/h14-15H,4-13H2,1-3H3
InChIKeyOFWBNMOXXIJGAY-UHFFFAOYSA-N
MW269.43 g/mol
LogP3.13
Rot. Bonds9

About 2-[[2-ethoxyethyl(ethyl)amino]methyl]-4-propylcyclohexan-1-one

2-[[2-ethoxyethyl(ethyl)amino]methyl]-4-propylcyclohexan-1-one (PubChem CID 55225565) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-[[2-ethoxyethyl(ethyl)amino]methyl]-4-propylcyclohexan-1-one.

Molecular Properties

Compound Name2-[[2-ethoxyethyl(ethyl)amino]methyl]-4-propylcyclohexan-1-one
PubChem CID55225565
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name2-[[2-ethoxyethyl(ethyl)amino]methyl]-4-propylcyclohexan-1-one
SMILESCCCC1CCC(=O)C(CN(CC)CCOCC)C1
InChIInChI=1S/C16H31NO2/c1-4-7-14-8-9-16(18)15(12-14)13-17(5-2)10-11-19-6-3/h14-15H,4-13H2,1-3H3
InChIKeyOFWBNMOXXIJGAY-UHFFFAOYSA-N
XLogP3.13
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.13
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]-4-propylcyclohexan-1-one?
The IUPAC name of 2-[[2-ethoxyethyl(ethyl)amino]methyl]-4-propylcyclohexan-1-one (CID 55225565) is 2-[[2-ethoxyethyl(ethyl)amino]methyl]-4-propylcyclohexan-1-one.
What is the SMILES notation for 2-[[2-ethoxyethyl(ethyl)amino]methyl]-4-propylcyclohexan-1-one?
The canonical SMILES for 2-[[2-ethoxyethyl(ethyl)amino]methyl]-4-propylcyclohexan-1-one is CCCC1CCC(=O)C(CN(CC)CCOCC)C1.
What is the InChIKey of 2-[[2-ethoxyethyl(ethyl)amino]methyl]-4-propylcyclohexan-1-one?
The InChIKey is OFWBNMOXXIJGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-4-7-14-8-9-16(18)15(12-14)13-17(5-2)10-11-19-6-3/h14-15H,4-13H2,1-3H3.
What are the key properties of 2-[[2-ethoxyethyl(ethyl)amino]methyl]-4-propylcyclohexan-1-one?
2-[[2-ethoxyethyl(ethyl)amino]methyl]-4-propylcyclohexan-1-one has a molecular weight of 269.43 g/mol, XLogP of 3.13, 9 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]-4-propylcyclohexan-1-one is sourced from PubChem (CID 55225565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).