2-[(3-ethylmorpholin-4-yl)methyl]-N-methylprop-2-en-1-amine

C11H22N2O — CID 103069467

IUPAC2-[(3-ethylmorpholin-4-yl)methyl]-N-methylprop-2-en-1-amine
SMILESC=C(CNC)CN1CCOCC1CC
InChIInChI=1S/C11H22N2O/c1-4-11-9-14-6-5-13(11)8-10(2)7-12-3/h11-12H,2,4-9H2,1,3H3
InChIKeyGCSZKYPHBHYXIY-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.87
Rot. Bonds5

About 2-[(3-ethylmorpholin-4-yl)methyl]-N-methylprop-2-en-1-amine

2-[(3-ethylmorpholin-4-yl)methyl]-N-methylprop-2-en-1-amine (PubChem CID 103069467) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-[(3-ethylmorpholin-4-yl)methyl]-N-methylprop-2-en-1-amine.

Molecular Properties

Compound Name2-[(3-ethylmorpholin-4-yl)methyl]-N-methylprop-2-en-1-amine
PubChem CID103069467
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name2-[(3-ethylmorpholin-4-yl)methyl]-N-methylprop-2-en-1-amine
SMILESC=C(CNC)CN1CCOCC1CC
InChIInChI=1S/C11H22N2O/c1-4-11-9-14-6-5-13(11)8-10(2)7-12-3/h11-12H,2,4-9H2,1,3H3
InChIKeyGCSZKYPHBHYXIY-UHFFFAOYSA-N
XLogP0.87
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-methyl-N-(3-morpholin-4-ylpropyl)but-2-en-1-amine
CID 20529045
2-methyl-N-(3-morpholin-4-ylpropyl)but-2-en-1-amine
CID 53925762
2-methyl-N-(2-morpholin-4-ylethyl)prop-2-en-1-amine
CID 60687136
N-[2-[(2S)-2-(ethylaminomethyl)morpholin-4-yl]ethyl]-N,2-dimethylprop-2-en-1-amine
CID 155189256
N-(2-methoxyethyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 43756290
N-(1-methoxypropan-2-yl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 43758405
N-(2-ethoxyethyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 43778419
2-methyl-N-(3-morpholin-4-ylpropyl)prop-2-en-1-amine
CID 60684443
N-(2-butoxyethyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 61170311
N-ethyl-2-methyl-N-(morpholin-2-ylmethyl)prop-2-en-1-amine
CID 61739905
N-(1-ethoxypropan-2-yl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 61821306
3-(3-ethylmorpholin-4-yl)-N,2,2-trimethylpropan-1-amine
CID 62257199

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethylmorpholin-4-yl)methyl]-N-methylprop-2-en-1-amine?
The IUPAC name of 2-[(3-ethylmorpholin-4-yl)methyl]-N-methylprop-2-en-1-amine (CID 103069467) is 2-[(3-ethylmorpholin-4-yl)methyl]-N-methylprop-2-en-1-amine.
What is the SMILES notation for 2-[(3-ethylmorpholin-4-yl)methyl]-N-methylprop-2-en-1-amine?
The canonical SMILES for 2-[(3-ethylmorpholin-4-yl)methyl]-N-methylprop-2-en-1-amine is C=C(CNC)CN1CCOCC1CC.
What is the InChIKey of 2-[(3-ethylmorpholin-4-yl)methyl]-N-methylprop-2-en-1-amine?
The InChIKey is GCSZKYPHBHYXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-4-11-9-14-6-5-13(11)8-10(2)7-12-3/h11-12H,2,4-9H2,1,3H3.
What are the key properties of 2-[(3-ethylmorpholin-4-yl)methyl]-N-methylprop-2-en-1-amine?
2-[(3-ethylmorpholin-4-yl)methyl]-N-methylprop-2-en-1-amine has a molecular weight of 198.31 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethylmorpholin-4-yl)methyl]-N-methylprop-2-en-1-amine is sourced from PubChem (CID 103069467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).