2-[(2,6-dimethylmorpholin-4-yl)methyl]-4-ethylcyclohexan-1-one

C15H27NO2 — CID 62612846

IUPAC2-[(2,6-dimethylmorpholin-4-yl)methyl]-4-ethylcyclohexan-1-one
SMILESCCC1CCC(=O)C(CN2CC(C)OC(C)C2)C1
InChIInChI=1S/C15H27NO2/c1-4-13-5-6-15(17)14(7-13)10-16-8-11(2)18-12(3)9-16/h11-14H,4-10H2,1-3H3
InChIKeyXXHANXWVPJFAQQ-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.49
Rot. Bonds3

About 2-[(2,6-dimethylmorpholin-4-yl)methyl]-4-ethylcyclohexan-1-one

2-[(2,6-dimethylmorpholin-4-yl)methyl]-4-ethylcyclohexan-1-one (PubChem CID 62612846) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-[(2,6-dimethylmorpholin-4-yl)methyl]-4-ethylcyclohexan-1-one.

Molecular Properties

Compound Name2-[(2,6-dimethylmorpholin-4-yl)methyl]-4-ethylcyclohexan-1-one
PubChem CID62612846
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name2-[(2,6-dimethylmorpholin-4-yl)methyl]-4-ethylcyclohexan-1-one
SMILESCCC1CCC(=O)C(CN2CC(C)OC(C)C2)C1
InChIInChI=1S/C15H27NO2/c1-4-13-5-6-15(17)14(7-13)10-16-8-11(2)18-12(3)9-16/h11-14H,4-10H2,1-3H3
InChIKeyXXHANXWVPJFAQQ-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

Analyze 2-[(2,6-dimethylmorpholin-4-yl)methyl]-4-ethylcyclohexan-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-[(2,6-dimethylmorpholin-4-yl)methyl]-4-ethylcyclohexan-1-one?
The IUPAC name of 2-[(2,6-dimethylmorpholin-4-yl)methyl]-4-ethylcyclohexan-1-one (CID 62612846) is 2-[(2,6-dimethylmorpholin-4-yl)methyl]-4-ethylcyclohexan-1-one.
What is the SMILES notation for 2-[(2,6-dimethylmorpholin-4-yl)methyl]-4-ethylcyclohexan-1-one?
The canonical SMILES for 2-[(2,6-dimethylmorpholin-4-yl)methyl]-4-ethylcyclohexan-1-one is CCC1CCC(=O)C(CN2CC(C)OC(C)C2)C1.
What is the InChIKey of 2-[(2,6-dimethylmorpholin-4-yl)methyl]-4-ethylcyclohexan-1-one?
The InChIKey is XXHANXWVPJFAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-4-13-5-6-15(17)14(7-13)10-16-8-11(2)18-12(3)9-16/h11-14H,4-10H2,1-3H3.
What are the key properties of 2-[(2,6-dimethylmorpholin-4-yl)methyl]-4-ethylcyclohexan-1-one?
2-[(2,6-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-[(2,6-dimethylmorpholin-4-yl)methyl]-4-ethylcyclohexan-1-one is sourced from PubChem (CID 62612846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).