N-ethyl-3-methyl-1-(4-methylthiomorpholin-3-yl)but-2-en-1-amine

C12H24N2S — CID 106445158

IUPACN-ethyl-3-methyl-1-(4-methylthiomorpholin-3-yl)but-2-en-1-amine
SMILESCCNC(C=C(C)C)C1CSCCN1C
InChIInChI=1S/C12H24N2S/c1-5-13-11(8-10(2)3)12-9-15-7-6-14(12)4/h8,11-13H,5-7,9H2,1-4H3
InChIKeyVQQMOUOSDDFUDB-UHFFFAOYSA-N
MW228.40 g/mol
LogP1.98
Rot. Bonds4

About N-ethyl-3-methyl-1-(4-methylthiomorpholin-3-yl)but-2-en-1-amine

N-ethyl-3-methyl-1-(4-methylthiomorpholin-3-yl)but-2-en-1-amine (PubChem CID 106445158) has the molecular formula C12H24N2S and a molecular weight of 228.40 g/mol. Its IUPAC name is N-ethyl-3-methyl-1-(4-methylthiomorpholin-3-yl)but-2-en-1-amine.

Molecular Properties

Compound NameN-ethyl-3-methyl-1-(4-methylthiomorpholin-3-yl)but-2-en-1-amine
PubChem CID106445158
Molecular FormulaC12H24N2S
Molecular Weight228.40 g/mol
Exact Mass228.17
IUPAC NameN-ethyl-3-methyl-1-(4-methylthiomorpholin-3-yl)but-2-en-1-amine
SMILESCCNC(C=C(C)C)C1CSCCN1C
InChIInChI=1S/C12H24N2S/c1-5-13-11(8-10(2)3)12-9-15-7-6-14(12)4/h8,11-13H,5-7,9H2,1-4H3
InChIKeyVQQMOUOSDDFUDB-UHFFFAOYSA-N
XLogP1.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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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Related Compounds

2-cyclopropyl-1-(4-methylthiomorpholin-3-yl)ethanamine
CID 103595894
(1R)-1-(4-methylthiomorpholin-3-yl)butan-1-amine
CID 106446169
N-[(2-ethylcyclohexyl)-(4-methylthiomorpholin-3-yl)methyl]ethanamine
CID 106445254
N,3-diethyl-1-(4-methylthiomorpholin-3-yl)heptan-1-amine
CID 106445246
2,2-dimethyl-1-(4-methylthiomorpholin-3-yl)-N-propylpropan-1-amine
CID 106445433
2-cyclopentyl-1-(4-methylthiomorpholin-3-yl)ethanol
CID 103595741
2-(3,4-dimethylphenyl)-N-ethyl-1-(4-methylthiomorpholin-3-yl)ethanamine
CID 106445245
N-[(3-fluoro-5-methylphenyl)-(4-methylthiomorpholin-3-yl)methyl]ethanamine
CID 106445193
N-[(2,5-dichlorophenyl)-(4-methylthiomorpholin-3-yl)methyl]ethanamine
CID 106444998
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethyl-1-(4-methylthiomorpholin-3-yl)ethanamine
CID 106445293
2-(3,4-dichlorophenyl)-N-ethyl-1-(4-methylthiomorpholin-3-yl)ethanamine
CID 106445261
N-[cyclohexyl-(4-methylthiomorpholin-3-yl)methyl]propan-1-amine
CID 106445322

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-1-(4-methylthiomorpholin-3-yl)but-2-en-1-amine?
The IUPAC name of N-ethyl-3-methyl-1-(4-methylthiomorpholin-3-yl)but-2-en-1-amine (CID 106445158) is N-ethyl-3-methyl-1-(4-methylthiomorpholin-3-yl)but-2-en-1-amine.
What is the SMILES notation for N-ethyl-3-methyl-1-(4-methylthiomorpholin-3-yl)but-2-en-1-amine?
The canonical SMILES for N-ethyl-3-methyl-1-(4-methylthiomorpholin-3-yl)but-2-en-1-amine is CCNC(C=C(C)C)C1CSCCN1C.
What is the InChIKey of N-ethyl-3-methyl-1-(4-methylthiomorpholin-3-yl)but-2-en-1-amine?
The InChIKey is VQQMOUOSDDFUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2S/c1-5-13-11(8-10(2)3)12-9-15-7-6-14(12)4/h8,11-13H,5-7,9H2,1-4H3.
What are the key properties of N-ethyl-3-methyl-1-(4-methylthiomorpholin-3-yl)but-2-en-1-amine?
N-ethyl-3-methyl-1-(4-methylthiomorpholin-3-yl)but-2-en-1-amine has a molecular weight of 228.40 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-1-(4-methylthiomorpholin-3-yl)but-2-en-1-amine is sourced from PubChem (CID 106445158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).