2-[(2,6-dimethylthiomorpholin-4-yl)methyl]-N-ethylprop-2-en-1-amine

C12H24N2S — CID 103070740

IUPAC2-[(2,6-dimethylthiomorpholin-4-yl)methyl]-N-ethylprop-2-en-1-amine
SMILESC=C(CNCC)CN1CC(C)SC(C)C1
InChIInChI=1S/C12H24N2S/c1-5-13-6-10(2)7-14-8-11(3)15-12(4)9-14/h11-13H,2,5-9H2,1,3-4H3
InChIKeyOIEONCIHSYDVLZ-UHFFFAOYSA-N
MW228.40 g/mol
LogP1.98
Rot. Bonds5

About 2-[(2,6-dimethylthiomorpholin-4-yl)methyl]-N-ethylprop-2-en-1-amine

2-[(2,6-dimethylthiomorpholin-4-yl)methyl]-N-ethylprop-2-en-1-amine (PubChem CID 103070740) has the molecular formula C12H24N2S and a molecular weight of 228.40 g/mol. Its IUPAC name is 2-[(2,6-dimethylthiomorpholin-4-yl)methyl]-N-ethylprop-2-en-1-amine.

Molecular Properties

Compound Name2-[(2,6-dimethylthiomorpholin-4-yl)methyl]-N-ethylprop-2-en-1-amine
PubChem CID103070740
Molecular FormulaC12H24N2S
Molecular Weight228.40 g/mol
Exact Mass228.17
IUPAC Name2-[(2,6-dimethylthiomorpholin-4-yl)methyl]-N-ethylprop-2-en-1-amine
SMILESC=C(CNCC)CN1CC(C)SC(C)C1
InChIInChI=1S/C12H24N2S/c1-5-13-6-10(2)7-14-8-11(3)15-12(4)9-14/h11-13H,2,5-9H2,1,3-4H3
InChIKeyOIEONCIHSYDVLZ-UHFFFAOYSA-N
XLogP1.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.40
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dimethylthiomorpholin-4-yl)methyl]-N-ethylprop-2-en-1-amine?
The IUPAC name of 2-[(2,6-dimethylthiomorpholin-4-yl)methyl]-N-ethylprop-2-en-1-amine (CID 103070740) is 2-[(2,6-dimethylthiomorpholin-4-yl)methyl]-N-ethylprop-2-en-1-amine.
What is the SMILES notation for 2-[(2,6-dimethylthiomorpholin-4-yl)methyl]-N-ethylprop-2-en-1-amine?
The canonical SMILES for 2-[(2,6-dimethylthiomorpholin-4-yl)methyl]-N-ethylprop-2-en-1-amine is C=C(CNCC)CN1CC(C)SC(C)C1.
What is the InChIKey of 2-[(2,6-dimethylthiomorpholin-4-yl)methyl]-N-ethylprop-2-en-1-amine?
The InChIKey is OIEONCIHSYDVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2S/c1-5-13-6-10(2)7-14-8-11(3)15-12(4)9-14/h11-13H,2,5-9H2,1,3-4H3.
What are the key properties of 2-[(2,6-dimethylthiomorpholin-4-yl)methyl]-N-ethylprop-2-en-1-amine?
2-[(2,6-dimethylthiomorpholin-4-yl)methyl]-N-ethylprop-2-en-1-amine has a molecular weight of 228.40 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dimethylthiomorpholin-4-yl)methyl]-N-ethylprop-2-en-1-amine is sourced from PubChem (CID 103070740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).