1-(4-methylthiomorpholin-3-yl)-N-propylbut-3-en-1-amine

C12H24N2S — CID 106445325

IUPAC1-(4-methylthiomorpholin-3-yl)-N-propylbut-3-en-1-amine
SMILESC=CCC(NCCC)C1CSCCN1C
InChIInChI=1S/C12H24N2S/c1-4-6-11(13-7-5-2)12-10-15-9-8-14(12)3/h4,11-13H,1,5-10H2,2-3H3
InChIKeyROMKZTWEFWWAJD-UHFFFAOYSA-N
MW228.40 g/mol
LogP1.98
Rot. Bonds6

About 1-(4-methylthiomorpholin-3-yl)-N-propylbut-3-en-1-amine

1-(4-methylthiomorpholin-3-yl)-N-propylbut-3-en-1-amine (PubChem CID 106445325) has the molecular formula C12H24N2S and a molecular weight of 228.40 g/mol. Its IUPAC name is 1-(4-methylthiomorpholin-3-yl)-N-propylbut-3-en-1-amine.

Molecular Properties

Compound Name1-(4-methylthiomorpholin-3-yl)-N-propylbut-3-en-1-amine
PubChem CID106445325
Molecular FormulaC12H24N2S
Molecular Weight228.40 g/mol
Exact Mass228.17
IUPAC Name1-(4-methylthiomorpholin-3-yl)-N-propylbut-3-en-1-amine
SMILESC=CCC(NCCC)C1CSCCN1C
InChIInChI=1S/C12H24N2S/c1-4-6-11(13-7-5-2)12-10-15-9-8-14(12)3/h4,11-13H,1,5-10H2,2-3H3
InChIKeyROMKZTWEFWWAJD-UHFFFAOYSA-N
XLogP1.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

Azane;2-prop-2-enylthiomorpholine
CID 66900119
2-(2-Prop-2-enylthiomorpholin-4-yl)ethanamine
CID 70523395
N-methyl-2-[4-(methylamino)butylsulfanyl]hepta-1,6-dien-3-amine
CID 146646997
1-[3-(2,3-Dihydrothiophen-2-yl)propyl]piperazine
CID 163907024
2-[2-[4-[2-(2-Aminoethylsulfanyl)ethyl]-2,5-bis(prop-2-enyl)piperazin-1-yl]ethylsulfanyl]ethanamine
CID 171080470
N-prop-2-enyl-2-thiomorpholin-4-ylpropan-1-amine
CID 62558854
2-(3-methylthiomorpholin-4-yl)-N-prop-2-enylpropan-1-amine
CID 64052023
N-[2-(3-methylthiomorpholin-4-yl)ethyl]prop-2-en-1-amine
CID 64052425
2-(2,6-dimethylthiomorpholin-4-yl)-N-prop-2-enylpropan-1-amine
CID 64117863
N-ethyl-1-methylsulfanylhex-5-en-2-amine
CID 64299588
1-methylsulfanyl-N-propylhex-5-en-2-amine
CID 64299590
1-ethylsulfanyl-N-propylhex-5-en-2-amine
CID 65127489

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylthiomorpholin-3-yl)-N-propylbut-3-en-1-amine?
The IUPAC name of 1-(4-methylthiomorpholin-3-yl)-N-propylbut-3-en-1-amine (CID 106445325) is 1-(4-methylthiomorpholin-3-yl)-N-propylbut-3-en-1-amine.
What is the SMILES notation for 1-(4-methylthiomorpholin-3-yl)-N-propylbut-3-en-1-amine?
The canonical SMILES for 1-(4-methylthiomorpholin-3-yl)-N-propylbut-3-en-1-amine is C=CCC(NCCC)C1CSCCN1C.
What is the InChIKey of 1-(4-methylthiomorpholin-3-yl)-N-propylbut-3-en-1-amine?
The InChIKey is ROMKZTWEFWWAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2S/c1-4-6-11(13-7-5-2)12-10-15-9-8-14(12)3/h4,11-13H,1,5-10H2,2-3H3.
What are the key properties of 1-(4-methylthiomorpholin-3-yl)-N-propylbut-3-en-1-amine?
1-(4-methylthiomorpholin-3-yl)-N-propylbut-3-en-1-amine has a molecular weight of 228.40 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylthiomorpholin-3-yl)-N-propylbut-3-en-1-amine is sourced from PubChem (CID 106445325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).