(4-aminooxan-4-yl)-(3-ethylmorpholin-4-yl)methanone

C12H22N2O3 — CID 115293761

IUPAC(4-aminooxan-4-yl)-(3-ethylmorpholin-4-yl)methanone
SMILESCCC1COCCN1C(=O)C1(N)CCOCC1
InChIInChI=1S/C12H22N2O3/c1-2-10-9-17-8-5-14(10)11(15)12(13)3-6-16-7-4-12/h10H,2-9,13H2,1H3
InChIKeyDGMWHUATBVERBH-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.13
Rot. Bonds2

About (4-aminooxan-4-yl)-(3-ethylmorpholin-4-yl)methanone

(4-aminooxan-4-yl)-(3-ethylmorpholin-4-yl)methanone (PubChem CID 115293761) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is (4-aminooxan-4-yl)-(3-ethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(4-aminooxan-4-yl)-(3-ethylmorpholin-4-yl)methanone
PubChem CID115293761
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name(4-aminooxan-4-yl)-(3-ethylmorpholin-4-yl)methanone
SMILESCCC1COCCN1C(=O)C1(N)CCOCC1
InChIInChI=1S/C12H22N2O3/c1-2-10-9-17-8-5-14(10)11(15)12(13)3-6-16-7-4-12/h10H,2-9,13H2,1H3
InChIKeyDGMWHUATBVERBH-UHFFFAOYSA-N
XLogP0.13
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-aminocyclohexyl)-1-(3-ethylmorpholin-4-yl)ethanone
CID 64684792
3-(3-ethylmorpholin-4-yl)-3-oxopropanethioamide
CID 43613382
3-ethylmorpholine-4-carbonyl chloride
CID 79887430
(3-aminooxolan-3-yl)-(2-ethylazepan-1-yl)methanone
CID 104689740
(4-aminooxan-4-yl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 107218110
(3-ethylmorpholin-4-yl)-(2-ethylpyrrolidin-2-yl)methanone
CID 83071481
2-amino-1-(3-ethylmorpholin-4-yl)propan-1-one
CID 43613241
2-(3-ethylmorpholin-4-yl)-2-oxoacetohydrazide
CID 43613615
4-amino-1-(3-ethylmorpholin-4-yl)-2-methylbutan-1-one
CID 80542052
N-(2-aminoethyl)-3-ethyl-N-methylmorpholine-4-carboxamide
CID 82509083
2-hydroxyethyl 3-ethylmorpholine-4-carboxylate
CID 79349487
5-(3-ethylmorpholin-4-yl)-5-oxopentanoic acid
CID 43611838

Frequently Asked Questions

What is the IUPAC name of (4-aminooxan-4-yl)-(3-ethylmorpholin-4-yl)methanone?
The IUPAC name of (4-aminooxan-4-yl)-(3-ethylmorpholin-4-yl)methanone (CID 115293761) is (4-aminooxan-4-yl)-(3-ethylmorpholin-4-yl)methanone.
What is the SMILES notation for (4-aminooxan-4-yl)-(3-ethylmorpholin-4-yl)methanone?
The canonical SMILES for (4-aminooxan-4-yl)-(3-ethylmorpholin-4-yl)methanone is CCC1COCCN1C(=O)C1(N)CCOCC1.
What is the InChIKey of (4-aminooxan-4-yl)-(3-ethylmorpholin-4-yl)methanone?
The InChIKey is DGMWHUATBVERBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-2-10-9-17-8-5-14(10)11(15)12(13)3-6-16-7-4-12/h10H,2-9,13H2,1H3.
What are the key properties of (4-aminooxan-4-yl)-(3-ethylmorpholin-4-yl)methanone?
(4-aminooxan-4-yl)-(3-ethylmorpholin-4-yl)methanone has a molecular weight of 242.32 g/mol, XLogP of 0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminooxan-4-yl)-(3-ethylmorpholin-4-yl)methanone is sourced from PubChem (CID 115293761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).