2-[(3,3-dimethylmorpholin-4-yl)methyl]-4-ethylcyclohexan-1-one

C15H27NO2 — CID 62612231

IUPAC2-[(3,3-dimethylmorpholin-4-yl)methyl]-4-ethylcyclohexan-1-one
SMILESCCC1CCC(=O)C(CN2CCOCC2(C)C)C1
InChIInChI=1S/C15H27NO2/c1-4-12-5-6-14(17)13(9-12)10-16-7-8-18-11-15(16,2)3/h12-13H,4-11H2,1-3H3
InChIKeyMFNFZIUCFNKZGY-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.49
Rot. Bonds3

About 2-[(3,3-dimethylmorpholin-4-yl)methyl]-4-ethylcyclohexan-1-one

2-[(3,3-dimethylmorpholin-4-yl)methyl]-4-ethylcyclohexan-1-one (PubChem CID 62612231) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-[(3,3-dimethylmorpholin-4-yl)methyl]-4-ethylcyclohexan-1-one.

Molecular Properties

Compound Name2-[(3,3-dimethylmorpholin-4-yl)methyl]-4-ethylcyclohexan-1-one
PubChem CID62612231
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name2-[(3,3-dimethylmorpholin-4-yl)methyl]-4-ethylcyclohexan-1-one
SMILESCCC1CCC(=O)C(CN2CCOCC2(C)C)C1
InChIInChI=1S/C15H27NO2/c1-4-12-5-6-14(17)13(9-12)10-16-7-8-18-11-15(16,2)3/h12-13H,4-11H2,1-3H3
InChIKeyMFNFZIUCFNKZGY-UHFFFAOYSA-N
XLogP2.49
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,3-dimethylmorpholin-4-yl)methyl]-4-ethylcyclohexan-1-one?
The IUPAC name of 2-[(3,3-dimethylmorpholin-4-yl)methyl]-4-ethylcyclohexan-1-one (CID 62612231) is 2-[(3,3-dimethylmorpholin-4-yl)methyl]-4-ethylcyclohexan-1-one.
What is the SMILES notation for 2-[(3,3-dimethylmorpholin-4-yl)methyl]-4-ethylcyclohexan-1-one?
The canonical SMILES for 2-[(3,3-dimethylmorpholin-4-yl)methyl]-4-ethylcyclohexan-1-one is CCC1CCC(=O)C(CN2CCOCC2(C)C)C1.
What is the InChIKey of 2-[(3,3-dimethylmorpholin-4-yl)methyl]-4-ethylcyclohexan-1-one?
The InChIKey is MFNFZIUCFNKZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-4-12-5-6-14(17)13(9-12)10-16-7-8-18-11-15(16,2)3/h12-13H,4-11H2,1-3H3.
What are the key properties of 2-[(3,3-dimethylmorpholin-4-yl)methyl]-4-ethylcyclohexan-1-one?
2-[(3,3-dimethylmorpholin-4-yl)methyl]-4-ethylcyclohexan-1-one has a molecular weight of 253.39 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,3-dimethylmorpholin-4-yl)methyl]-4-ethylcyclohexan-1-one is sourced from PubChem (CID 62612231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).