1-(1,3-dioxan-4-yl)-N-[(5-ethylthiophen-2-yl)methyl]methanamine

C12H19NO2S — CID 106011037

IUPAC1-(1,3-dioxan-4-yl)-N-[(5-ethylthiophen-2-yl)methyl]methanamine
SMILESCCc1ccc(CNCC2CCOCO2)s1
InChIInChI=1S/C12H19NO2S/c1-2-11-3-4-12(16-11)8-13-7-10-5-6-14-9-15-10/h3-4,10,13H,2,5-9H2,1H3
InChIKeyJVIUWKQALVEFMP-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.16
Rot. Bonds5

About 1-(1,3-dioxan-4-yl)-N-[(5-ethylthiophen-2-yl)methyl]methanamine

1-(1,3-dioxan-4-yl)-N-[(5-ethylthiophen-2-yl)methyl]methanamine (PubChem CID 106011037) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is 1-(1,3-dioxan-4-yl)-N-[(5-ethylthiophen-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1,3-dioxan-4-yl)-N-[(5-ethylthiophen-2-yl)methyl]methanamine
PubChem CID106011037
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC Name1-(1,3-dioxan-4-yl)-N-[(5-ethylthiophen-2-yl)methyl]methanamine
SMILESCCc1ccc(CNCC2CCOCO2)s1
InChIInChI=1S/C12H19NO2S/c1-2-11-3-4-12(16-11)8-13-7-10-5-6-14-9-15-10/h3-4,10,13H,2,5-9H2,1H3
InChIKeyJVIUWKQALVEFMP-UHFFFAOYSA-N
XLogP2.16
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-dioxan-4-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine
CID 106371533
1-(1,3-dioxan-4-yl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine
CID 81102296
N-[(2-bromophenyl)methyl]-1-(1,3-dioxan-4-yl)methanamine
CID 81102425
1-(1,3-dioxan-4-yl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 81102183
N-[(5-ethylthiophen-2-yl)methyl]oxan-4-amine
CID 43610154
1-(1,3-dioxan-4-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 81101919
4-[[(5-ethylthiophen-2-yl)methylamino]methyl]oxolan-3-amine
CID 106012165
N-[(5-ethylthiophen-2-yl)methyl]-2-(oxan-2-yl)ethanamine
CID 113362826
N-[(5-ethylthiophen-2-yl)methyl]-1-(1-oxaspiro[4.5]decan-2-yl)methanamine
CID 106010999
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-N-[(5-ethylthiophen-2-yl)methyl]methanamine
CID 78952231
1-(1,3-dioxan-4-yl)-N-[(4-nitrophenyl)methyl]methanamine
CID 81101193
2-[(5-ethylthiophen-2-yl)methylamino]-N-(oxan-4-yl)acetamide
CID 106010838

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dioxan-4-yl)-N-[(5-ethylthiophen-2-yl)methyl]methanamine?
The IUPAC name of 1-(1,3-dioxan-4-yl)-N-[(5-ethylthiophen-2-yl)methyl]methanamine (CID 106011037) is 1-(1,3-dioxan-4-yl)-N-[(5-ethylthiophen-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(1,3-dioxan-4-yl)-N-[(5-ethylthiophen-2-yl)methyl]methanamine?
The canonical SMILES for 1-(1,3-dioxan-4-yl)-N-[(5-ethylthiophen-2-yl)methyl]methanamine is CCc1ccc(CNCC2CCOCO2)s1.
What is the InChIKey of 1-(1,3-dioxan-4-yl)-N-[(5-ethylthiophen-2-yl)methyl]methanamine?
The InChIKey is JVIUWKQALVEFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-2-11-3-4-12(16-11)8-13-7-10-5-6-14-9-15-10/h3-4,10,13H,2,5-9H2,1H3.
What are the key properties of 1-(1,3-dioxan-4-yl)-N-[(5-ethylthiophen-2-yl)methyl]methanamine?
1-(1,3-dioxan-4-yl)-N-[(5-ethylthiophen-2-yl)methyl]methanamine has a molecular weight of 241.36 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dioxan-4-yl)-N-[(5-ethylthiophen-2-yl)methyl]methanamine is sourced from PubChem (CID 106011037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).