3-[[cyclohexyl(2-hydroxyethyl)amino]methyl]oxan-4-one

C14H25NO3 — CID 103057834

IUPAC3-[[cyclohexyl(2-hydroxyethyl)amino]methyl]oxan-4-one
SMILESO=C1CCOCC1CN(CCO)C1CCCCC1
InChIInChI=1S/C14H25NO3/c16-8-7-15(13-4-2-1-3-5-13)10-12-11-18-9-6-14(12)17/h12-13,16H,1-11H2
InChIKeyQUCXWTOWMJWPQD-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.22
Rot. Bonds5

About 3-[[cyclohexyl(2-hydroxyethyl)amino]methyl]oxan-4-one

3-[[cyclohexyl(2-hydroxyethyl)amino]methyl]oxan-4-one (PubChem CID 103057834) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 3-[[cyclohexyl(2-hydroxyethyl)amino]methyl]oxan-4-one.

Molecular Properties

Compound Name3-[[cyclohexyl(2-hydroxyethyl)amino]methyl]oxan-4-one
PubChem CID103057834
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name3-[[cyclohexyl(2-hydroxyethyl)amino]methyl]oxan-4-one
SMILESO=C1CCOCC1CN(CCO)C1CCCCC1
InChIInChI=1S/C14H25NO3/c16-8-7-15(13-4-2-1-3-5-13)10-12-11-18-9-6-14(12)17/h12-13,16H,1-11H2
InChIKeyQUCXWTOWMJWPQD-UHFFFAOYSA-N
XLogP1.22
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[cycloheptyl(methyl)amino]methyl]oxan-4-one
CID 103057733
3-[[cyclopropyl(2-methoxyethyl)amino]methyl]oxan-4-one
CID 103057821
2-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-4-propylcyclohexan-1-one
CID 62614047
3-[(dimethylamino)methyl]oxan-4-one
CID 15050158
3-[[benzyl(2-hydroxyethyl)amino]methyl]oxan-4-one
CID 103057747
2-[cyclohexyl-[[4-(methylamino)oxan-3-yl]methyl]amino]ethanol
CID 103059443
2-[cyclobutyl(oxan-4-ylmethyl)amino]ethanol
CID 102676607
2-[cyclohexyl(2-hydroxyethyl)amino]ethanol;nickel
CID 88833532
2-[[cyclohexyl(ethyl)amino]methyl]cyclopentan-1-one
CID 62612009
3-[[2-(dimethylamino)ethyl-methylamino]methyl]oxan-4-one
CID 103058009
3-[[cyclopropylmethyl(methyl)amino]methyl]oxan-4-one
CID 103057758
3-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]oxan-4-one
CID 103058171

Frequently Asked Questions

What is the IUPAC name of 3-[[cyclohexyl(2-hydroxyethyl)amino]methyl]oxan-4-one?
The IUPAC name of 3-[[cyclohexyl(2-hydroxyethyl)amino]methyl]oxan-4-one (CID 103057834) is 3-[[cyclohexyl(2-hydroxyethyl)amino]methyl]oxan-4-one.
What is the SMILES notation for 3-[[cyclohexyl(2-hydroxyethyl)amino]methyl]oxan-4-one?
The canonical SMILES for 3-[[cyclohexyl(2-hydroxyethyl)amino]methyl]oxan-4-one is O=C1CCOCC1CN(CCO)C1CCCCC1.
What is the InChIKey of 3-[[cyclohexyl(2-hydroxyethyl)amino]methyl]oxan-4-one?
The InChIKey is QUCXWTOWMJWPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c16-8-7-15(13-4-2-1-3-5-13)10-12-11-18-9-6-14(12)17/h12-13,16H,1-11H2.
What are the key properties of 3-[[cyclohexyl(2-hydroxyethyl)amino]methyl]oxan-4-one?
3-[[cyclohexyl(2-hydroxyethyl)amino]methyl]oxan-4-one has a molecular weight of 255.36 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclohexyl(2-hydroxyethyl)amino]methyl]oxan-4-one is sourced from PubChem (CID 103057834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).