1-(4-ethylmorpholin-2-yl)-N-propylprop-2-yn-1-amine

C12H22N2O — CID 79669262

IUPAC1-(4-ethylmorpholin-2-yl)-N-propylprop-2-yn-1-amine
SMILESC#CC(NCCC)C1CN(CC)CCO1
InChIInChI=1S/C12H22N2O/c1-4-7-13-11(5-2)12-10-14(6-3)8-9-15-12/h2,11-13H,4,6-10H2,1,3H3
InChIKeyRYAUDYHVOMLSHW-UHFFFAOYSA-N
MW210.32 g/mol
LogP0.71
Rot. Bonds5

About 1-(4-ethylmorpholin-2-yl)-N-propylprop-2-yn-1-amine

1-(4-ethylmorpholin-2-yl)-N-propylprop-2-yn-1-amine (PubChem CID 79669262) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-(4-ethylmorpholin-2-yl)-N-propylprop-2-yn-1-amine.

Molecular Properties

Compound Name1-(4-ethylmorpholin-2-yl)-N-propylprop-2-yn-1-amine
PubChem CID79669262
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name1-(4-ethylmorpholin-2-yl)-N-propylprop-2-yn-1-amine
SMILESC#CC(NCCC)C1CN(CC)CCO1
InChIInChI=1S/C12H22N2O/c1-4-7-13-11(5-2)12-10-14(6-3)8-9-15-12/h2,11-13H,4,6-10H2,1,3H3
InChIKeyRYAUDYHVOMLSHW-UHFFFAOYSA-N
XLogP0.71
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[cyclopentyl-(4-ethylmorpholin-2-yl)methyl]propan-1-amine
CID 79669822
N-[2-cyclohexyl-1-(4-ethylmorpholin-2-yl)ethyl]propan-1-amine
CID 79668960
N-ethyl-1-(4-ethylmorpholin-2-yl)pent-3-yn-1-amine
CID 79668802
(1S)-1-[(2R)-4-ethylmorpholin-2-yl]ethane-1,2-diol
CID 177187353
1-(4-ethylmorpholin-2-yl)-3-methylbutan-1-amine
CID 79666356
1-(4-ethylmorpholin-2-yl)-N-propyloct-7-en-1-amine
CID 107009444
N-[(2,6-difluorophenyl)-(4-ethylmorpholin-2-yl)methyl]propan-1-amine
CID 79662548
N-[1-(4-ethylmorpholin-2-yl)-2-(4-fluorophenyl)ethyl]propan-1-amine
CID 79665908
N-[(4-ethylmorpholin-2-yl)-(1-methylimidazol-2-yl)methyl]propan-1-amine
CID 79668962
N-[(4-ethylmorpholin-2-yl)-(5-methylthiophen-3-yl)methyl]propan-1-amine
CID 79669333
N-ethyl-1-(4-ethylmorpholin-2-yl)-2,2-dimethylpropan-1-amine
CID 79668725
N-[cyclopropyl-(4-ethylmorpholin-2-yl)methyl]ethanamine
CID 79669495

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylmorpholin-2-yl)-N-propylprop-2-yn-1-amine?
The IUPAC name of 1-(4-ethylmorpholin-2-yl)-N-propylprop-2-yn-1-amine (CID 79669262) is 1-(4-ethylmorpholin-2-yl)-N-propylprop-2-yn-1-amine.
What is the SMILES notation for 1-(4-ethylmorpholin-2-yl)-N-propylprop-2-yn-1-amine?
The canonical SMILES for 1-(4-ethylmorpholin-2-yl)-N-propylprop-2-yn-1-amine is C#CC(NCCC)C1CN(CC)CCO1.
What is the InChIKey of 1-(4-ethylmorpholin-2-yl)-N-propylprop-2-yn-1-amine?
The InChIKey is RYAUDYHVOMLSHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-4-7-13-11(5-2)12-10-14(6-3)8-9-15-12/h2,11-13H,4,6-10H2,1,3H3.
What are the key properties of 1-(4-ethylmorpholin-2-yl)-N-propylprop-2-yn-1-amine?
1-(4-ethylmorpholin-2-yl)-N-propylprop-2-yn-1-amine has a molecular weight of 210.32 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylmorpholin-2-yl)-N-propylprop-2-yn-1-amine is sourced from PubChem (CID 79669262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).