2-(2-ethylmorpholin-4-yl)-3,3-dimethoxy-2-methylpropan-1-amine

C12H26N2O3 — CID 66180628

IUPAC2-(2-ethylmorpholin-4-yl)-3,3-dimethoxy-2-methylpropan-1-amine
SMILESCCC1CN(C(C)(CN)C(OC)OC)CCO1
InChIInChI=1S/C12H26N2O3/c1-5-10-8-14(6-7-17-10)12(2,9-13)11(15-3)16-4/h10-11H,5-9,13H2,1-4H3
InChIKeyQUVZYNVJSFTUPI-UHFFFAOYSA-N
MW246.35 g/mol
LogP0.43
Rot. Bonds6

About 2-(2-ethylmorpholin-4-yl)-3,3-dimethoxy-2-methylpropan-1-amine

2-(2-ethylmorpholin-4-yl)-3,3-dimethoxy-2-methylpropan-1-amine (PubChem CID 66180628) has the molecular formula C12H26N2O3 and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-(2-ethylmorpholin-4-yl)-3,3-dimethoxy-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-(2-ethylmorpholin-4-yl)-3,3-dimethoxy-2-methylpropan-1-amine
PubChem CID66180628
Molecular FormulaC12H26N2O3
Molecular Weight246.35 g/mol
Exact Mass246.19
IUPAC Name2-(2-ethylmorpholin-4-yl)-3,3-dimethoxy-2-methylpropan-1-amine
SMILESCCC1CN(C(C)(CN)C(OC)OC)CCO1
InChIInChI=1S/C12H26N2O3/c1-5-10-8-14(6-7-17-10)12(2,9-13)11(15-3)16-4/h10-11H,5-9,13H2,1-4H3
InChIKeyQUVZYNVJSFTUPI-UHFFFAOYSA-N
XLogP0.43
TPSA56.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(2-ethylmorpholin-4-yl)-2,3-dimethylbutan-1-amine
CID 61353367
2-(2-ethylmorpholin-4-yl)-2-methylpentan-1-amine
CID 43562524
2-(4-tert-butylpiperazin-1-yl)-3,3-dimethoxy-2-methylpropan-1-amine
CID 66180437
3,3-dimethoxy-2-methyl-2-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine
CID 114537586
2-(4-ethoxypiperidin-1-yl)-3,3-dimethoxy-2-methylpropan-1-amine
CID 66178856
3-(2-ethylmorpholin-4-yl)-2,2-dimethylpropan-1-amine
CID 62258556
2-(2-ethyl-1,4-oxazepan-4-yl)-2,4-dimethylpentan-1-amine
CID 114218328
2-(5-ethyl-2-methylmorpholin-4-yl)-3,3-dimethoxy-2-methylpropan-1-amine
CID 66180240
2-(2-ethylmorpholin-4-yl)-4,4-dimethylpentan-1-amine
CID 62949677
2-(4-tert-butylcyclohexyl)-2-(2-ethylmorpholin-4-yl)ethanamine
CID 104575361
3-(2-ethylmorpholin-4-yl)butan-1-amine
CID 60913991
2-ethyl-4-hydroxymorpholine
CID 70429179

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylmorpholin-4-yl)-3,3-dimethoxy-2-methylpropan-1-amine?
The IUPAC name of 2-(2-ethylmorpholin-4-yl)-3,3-dimethoxy-2-methylpropan-1-amine (CID 66180628) is 2-(2-ethylmorpholin-4-yl)-3,3-dimethoxy-2-methylpropan-1-amine.
What is the SMILES notation for 2-(2-ethylmorpholin-4-yl)-3,3-dimethoxy-2-methylpropan-1-amine?
The canonical SMILES for 2-(2-ethylmorpholin-4-yl)-3,3-dimethoxy-2-methylpropan-1-amine is CCC1CN(C(C)(CN)C(OC)OC)CCO1.
What is the InChIKey of 2-(2-ethylmorpholin-4-yl)-3,3-dimethoxy-2-methylpropan-1-amine?
The InChIKey is QUVZYNVJSFTUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3/c1-5-10-8-14(6-7-17-10)12(2,9-13)11(15-3)16-4/h10-11H,5-9,13H2,1-4H3.
What are the key properties of 2-(2-ethylmorpholin-4-yl)-3,3-dimethoxy-2-methylpropan-1-amine?
2-(2-ethylmorpholin-4-yl)-3,3-dimethoxy-2-methylpropan-1-amine has a molecular weight of 246.35 g/mol, XLogP of 0.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylmorpholin-4-yl)-3,3-dimethoxy-2-methylpropan-1-amine is sourced from PubChem (CID 66180628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).