2-(5-ethyl-2-methylmorpholin-4-yl)-3,3-dimethoxy-2-methylpropan-1-amine

C13H28N2O3 — CID 66180240

IUPAC2-(5-ethyl-2-methylmorpholin-4-yl)-3,3-dimethoxy-2-methylpropan-1-amine
SMILESCCC1COC(C)CN1C(C)(CN)C(OC)OC
InChIInChI=1S/C13H28N2O3/c1-6-11-8-18-10(2)7-15(11)13(3,9-14)12(16-4)17-5/h10-12H,6-9,14H2,1-5H3
InChIKeyJATSFJRPDRURLY-UHFFFAOYSA-N
MW260.38 g/mol
LogP0.82
Rot. Bonds6

About 2-(5-ethyl-2-methylmorpholin-4-yl)-3,3-dimethoxy-2-methylpropan-1-amine

2-(5-ethyl-2-methylmorpholin-4-yl)-3,3-dimethoxy-2-methylpropan-1-amine (PubChem CID 66180240) has the molecular formula C13H28N2O3 and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-(5-ethyl-2-methylmorpholin-4-yl)-3,3-dimethoxy-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-(5-ethyl-2-methylmorpholin-4-yl)-3,3-dimethoxy-2-methylpropan-1-amine
PubChem CID66180240
Molecular FormulaC13H28N2O3
Molecular Weight260.38 g/mol
Exact Mass260.21
IUPAC Name2-(5-ethyl-2-methylmorpholin-4-yl)-3,3-dimethoxy-2-methylpropan-1-amine
SMILESCCC1COC(C)CN1C(C)(CN)C(OC)OC
InChIInChI=1S/C13H28N2O3/c1-6-11-8-18-10(2)7-15(11)13(3,9-14)12(16-4)17-5/h10-12H,6-9,14H2,1-5H3
InChIKeyJATSFJRPDRURLY-UHFFFAOYSA-N
XLogP0.82
TPSA56.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 50.82
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-(5-ethyl-2-methylmorpholin-4-yl)-2,3-dimethylbutan-1-amine
CID 61424280
2-(5-ethyl-2-methylmorpholin-4-yl)-2-propylpentan-1-amine
CID 61423784
2-(5-ethyl-2-methylmorpholin-4-yl)-2-methyloctan-1-amine
CID 61424178
2-(2-ethylmorpholin-4-yl)-3,3-dimethoxy-2-methylpropan-1-amine
CID 66180628
3,3-dimethoxy-2-methyl-2-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine
CID 114537586
4-amino-1-(5-ethyl-2-methylmorpholin-4-yl)butan-1-one
CID 43579218
1-(5-ethyl-2-methylmorpholin-4-yl)-3-methoxypropan-2-amine
CID 81101747
2-amino-1-(5-ethyl-2-methylmorpholin-4-yl)-3-methoxypropan-1-one;hydrochloride
CID 120992156
1-(5-ethyl-2-methylmorpholin-4-yl)-2-methoxy-2-methylpropan-1-one
CID 103029074
5-(5-ethyl-2-methylmorpholin-4-yl)-2-methylpentan-1-amine
CID 82683901
3-(5-ethyl-2-methylmorpholin-4-yl)pentan-1-amine
CID 43575822
3-amino-2-(5-ethyl-2-methylmorpholin-4-yl)propan-1-ol
CID 104710882

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-2-methylmorpholin-4-yl)-3,3-dimethoxy-2-methylpropan-1-amine?
The IUPAC name of 2-(5-ethyl-2-methylmorpholin-4-yl)-3,3-dimethoxy-2-methylpropan-1-amine (CID 66180240) is 2-(5-ethyl-2-methylmorpholin-4-yl)-3,3-dimethoxy-2-methylpropan-1-amine.
What is the SMILES notation for 2-(5-ethyl-2-methylmorpholin-4-yl)-3,3-dimethoxy-2-methylpropan-1-amine?
The canonical SMILES for 2-(5-ethyl-2-methylmorpholin-4-yl)-3,3-dimethoxy-2-methylpropan-1-amine is CCC1COC(C)CN1C(C)(CN)C(OC)OC.
What is the InChIKey of 2-(5-ethyl-2-methylmorpholin-4-yl)-3,3-dimethoxy-2-methylpropan-1-amine?
The InChIKey is JATSFJRPDRURLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O3/c1-6-11-8-18-10(2)7-15(11)13(3,9-14)12(16-4)17-5/h10-12H,6-9,14H2,1-5H3.
What are the key properties of 2-(5-ethyl-2-methylmorpholin-4-yl)-3,3-dimethoxy-2-methylpropan-1-amine?
2-(5-ethyl-2-methylmorpholin-4-yl)-3,3-dimethoxy-2-methylpropan-1-amine has a molecular weight of 260.38 g/mol, XLogP of 0.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-2-methylmorpholin-4-yl)-3,3-dimethoxy-2-methylpropan-1-amine is sourced from PubChem (CID 66180240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).