2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cyclohexan-1-one

C14H25NO2 — CID 55093531

IUPAC2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cyclohexan-1-one
SMILESCCN(CC1CCCO1)CC1CCCCC1=O
InChIInChI=1S/C14H25NO2/c1-2-15(11-13-7-5-9-17-13)10-12-6-3-4-8-14(12)16/h12-13H,2-11H2,1H3
InChIKeyOTQHQPBZXYUSDS-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.25
Rot. Bonds5

About 2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cyclohexan-1-one

2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cyclohexan-1-one (PubChem CID 55093531) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cyclohexan-1-one
PubChem CID55093531
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cyclohexan-1-one
SMILESCCN(CC1CCCO1)CC1CCCCC1=O
InChIInChI=1S/C14H25NO2/c1-2-15(11-13-7-5-9-17-13)10-12-6-3-4-8-14(12)16/h12-13H,2-11H2,1H3
InChIKeyOTQHQPBZXYUSDS-UHFFFAOYSA-N
XLogP2.25
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cyclohexan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cyclohexan-1-one?
The IUPAC name of 2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cyclohexan-1-one (CID 55093531) is 2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cyclohexan-1-one.
What is the SMILES notation for 2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cyclohexan-1-one?
The canonical SMILES for 2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cyclohexan-1-one is CCN(CC1CCCO1)CC1CCCCC1=O.
What is the InChIKey of 2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cyclohexan-1-one?
The InChIKey is OTQHQPBZXYUSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-2-15(11-13-7-5-9-17-13)10-12-6-3-4-8-14(12)16/h12-13H,2-11H2,1H3.
What are the key properties of 2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cyclohexan-1-one?
2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cyclohexan-1-one has a molecular weight of 239.36 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cyclohexan-1-one is sourced from PubChem (CID 55093531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).