4-ethyl-2-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]cyclohexan-1-one

C14H27NO3 — CID 55094973

IUPAC4-ethyl-2-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]cyclohexan-1-one
SMILESCCC1CCC(=O)C(CN(C)CC(O)COC)C1
InChIInChI=1S/C14H27NO3/c1-4-11-5-6-14(17)12(7-11)8-15(2)9-13(16)10-18-3/h11-13,16H,4-10H2,1-3H3
InChIKeyLGBWYCZCEHMPBZ-UHFFFAOYSA-N
MW257.37 g/mol
LogP1.32
Rot. Bonds7

About 4-ethyl-2-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]cyclohexan-1-one

4-ethyl-2-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]cyclohexan-1-one (PubChem CID 55094973) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is 4-ethyl-2-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]cyclohexan-1-one.

Molecular Properties

Compound Name4-ethyl-2-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]cyclohexan-1-one
PubChem CID55094973
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name4-ethyl-2-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]cyclohexan-1-one
SMILESCCC1CCC(=O)C(CN(C)CC(O)COC)C1
InChIInChI=1S/C14H27NO3/c1-4-11-5-6-14(17)12(7-11)8-15(2)9-13(16)10-18-3/h11-13,16H,4-10H2,1-3H3
InChIKeyLGBWYCZCEHMPBZ-UHFFFAOYSA-N
XLogP1.32
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]cyclohexan-1-one?
The IUPAC name of 4-ethyl-2-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]cyclohexan-1-one (CID 55094973) is 4-ethyl-2-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]cyclohexan-1-one.
What is the SMILES notation for 4-ethyl-2-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]cyclohexan-1-one?
The canonical SMILES for 4-ethyl-2-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]cyclohexan-1-one is CCC1CCC(=O)C(CN(C)CC(O)COC)C1.
What is the InChIKey of 4-ethyl-2-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]cyclohexan-1-one?
The InChIKey is LGBWYCZCEHMPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-4-11-5-6-14(17)12(7-11)8-15(2)9-13(16)10-18-3/h11-13,16H,4-10H2,1-3H3.
What are the key properties of 4-ethyl-2-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]cyclohexan-1-one?
4-ethyl-2-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]cyclohexan-1-one has a molecular weight of 257.37 g/mol, XLogP of 1.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]cyclohexan-1-one is sourced from PubChem (CID 55094973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).