1-(4-methylmorpholin-2-yl)tridecan-1-one

C18H35NO2 — CID 79077559

IUPAC1-(4-methylmorpholin-2-yl)tridecan-1-one
SMILESCCCCCCCCCCCCC(=O)C1CN(C)CCO1
InChIInChI=1S/C18H35NO2/c1-3-4-5-6-7-8-9-10-11-12-13-17(20)18-16-19(2)14-15-21-18/h18H,3-16H2,1-2H3
InChIKeyRRORUPGAZYKKMF-UHFFFAOYSA-N
MW297.48 g/mol
LogP4.20
Rot. Bonds12

About 1-(4-methylmorpholin-2-yl)tridecan-1-one

1-(4-methylmorpholin-2-yl)tridecan-1-one (PubChem CID 79077559) has the molecular formula C18H35NO2 and a molecular weight of 297.48 g/mol. Its IUPAC name is 1-(4-methylmorpholin-2-yl)tridecan-1-one.

Molecular Properties

Compound Name1-(4-methylmorpholin-2-yl)tridecan-1-one
PubChem CID79077559
Molecular FormulaC18H35NO2
Molecular Weight297.48 g/mol
Exact Mass297.27
IUPAC Name1-(4-methylmorpholin-2-yl)tridecan-1-one
SMILESCCCCCCCCCCCCC(=O)C1CN(C)CCO1
InChIInChI=1S/C18H35NO2/c1-3-4-5-6-7-8-9-10-11-12-13-17(20)18-16-19(2)14-15-21-18/h18H,3-16H2,1-2H3
InChIKeyRRORUPGAZYKKMF-UHFFFAOYSA-N
XLogP4.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.48
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-methylmorpholin-2-yl)oct-7-en-1-one
CID 107008310
1-(4-methylmorpholin-2-yl)hex-4-yn-1-one
CID 104803398
2-cyclopentyl-1-(4-methylmorpholin-2-yl)ethanone
CID 79077507
1-(4-methylmorpholin-2-yl)-3-phenylpropan-1-one
CID 79077304
(4-methylmorpholin-2-yl)methanol;nonane
CID 143690142
1-(1,4-dioxan-2-yl)tridecan-1-one
CID 65350783
1-(oxan-2-yl)nonan-1-one
CID 114966896
2-methyl-1-(4-methylmorpholin-2-yl)pentan-1-one
CID 107896344
1-[(2R)-oxiran-2-yl]hexan-1-one
CID 177406041
1-(1,4-dimethylpiperazin-2-yl)undecan-1-one
CID 79659640
(4-methylmorpholine-2-carbonyl)-λ2-stannane
CID 174736409
1-morpholin-2-ylhexadecan-1-one
CID 70404670

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylmorpholin-2-yl)tridecan-1-one?
The IUPAC name of 1-(4-methylmorpholin-2-yl)tridecan-1-one (CID 79077559) is 1-(4-methylmorpholin-2-yl)tridecan-1-one.
What is the SMILES notation for 1-(4-methylmorpholin-2-yl)tridecan-1-one?
The canonical SMILES for 1-(4-methylmorpholin-2-yl)tridecan-1-one is CCCCCCCCCCCCC(=O)C1CN(C)CCO1.
What is the InChIKey of 1-(4-methylmorpholin-2-yl)tridecan-1-one?
The InChIKey is RRORUPGAZYKKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO2/c1-3-4-5-6-7-8-9-10-11-12-13-17(20)18-16-19(2)14-15-21-18/h18H,3-16H2,1-2H3.
What are the key properties of 1-(4-methylmorpholin-2-yl)tridecan-1-one?
1-(4-methylmorpholin-2-yl)tridecan-1-one has a molecular weight of 297.48 g/mol, XLogP of 4.20, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylmorpholin-2-yl)tridecan-1-one is sourced from PubChem (CID 79077559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).