1-(3,5-dimethylthiophen-2-yl)-N-methyl-1-(oxan-2-yl)methanamine

C13H21NOS — CID 81156279

IUPAC1-(3,5-dimethylthiophen-2-yl)-N-methyl-1-(oxan-2-yl)methanamine
SMILESCNC(c1sc(C)cc1C)C1CCCCO1
InChIInChI=1S/C13H21NOS/c1-9-8-10(2)16-13(9)12(14-3)11-6-4-5-7-15-11/h8,11-12,14H,4-7H2,1-3H3
InChIKeySHWDZWADKHYRTL-UHFFFAOYSA-N
MW239.38 g/mol
LogP3.19
Rot. Bonds3

About 1-(3,5-dimethylthiophen-2-yl)-N-methyl-1-(oxan-2-yl)methanamine

1-(3,5-dimethylthiophen-2-yl)-N-methyl-1-(oxan-2-yl)methanamine (PubChem CID 81156279) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is 1-(3,5-dimethylthiophen-2-yl)-N-methyl-1-(oxan-2-yl)methanamine.

Molecular Properties

Compound Name1-(3,5-dimethylthiophen-2-yl)-N-methyl-1-(oxan-2-yl)methanamine
PubChem CID81156279
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC Name1-(3,5-dimethylthiophen-2-yl)-N-methyl-1-(oxan-2-yl)methanamine
SMILESCNC(c1sc(C)cc1C)C1CCCCO1
InChIInChI=1S/C13H21NOS/c1-9-8-10(2)16-13(9)12(14-3)11-6-4-5-7-15-11/h8,11-12,14H,4-7H2,1-3H3
InChIKeySHWDZWADKHYRTL-UHFFFAOYSA-N
XLogP3.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-5-methylthiophen-2-yl)-N-methyl-1-(oxan-2-yl)methanamine
CID 65279713
1-(5-bromo-4-methylthiophen-2-yl)-N-methyl-1-(oxan-2-yl)methanamine
CID 79992393
1-(5-bromo-4-methylthiophen-2-yl)-N-methyl-1-(oxolan-2-yl)methanamine
CID 79991852
1-(3-fluoro-4-methylphenyl)-N-methyl-1-(oxan-2-yl)methanamine
CID 107130447
N-methyl-1-(oxan-2-yl)-1-phenylmethanamine
CID 62213165
1-(2-methoxy-4,6-dimethylphenyl)-N-methyl-1-(oxan-2-yl)methanamine
CID 106682477
N-[(3-bromo-5-methylthiophen-2-yl)-(oxolan-2-yl)methyl]ethanamine
CID 65279468
2-[3-chloro-3-(3,5-dimethylthiophen-2-yl)propyl]oxane
CID 81157629
(1R)-N-methyl-1-[(2S)-oxan-2-yl]ethanamine
CID 144712346
N-[cyclohexyl-(3,5-dimethylthiophen-2-yl)methyl]ethanamine
CID 81157381
1-[2,4-di(propan-2-yl)phenyl]-N-methyl-1-(oxan-2-yl)methanamine
CID 63509253
3-cyclopentyl-1-(3,5-dimethylthiophen-2-yl)-N-methylpropan-1-amine
CID 81155888

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylthiophen-2-yl)-N-methyl-1-(oxan-2-yl)methanamine?
The IUPAC name of 1-(3,5-dimethylthiophen-2-yl)-N-methyl-1-(oxan-2-yl)methanamine (CID 81156279) is 1-(3,5-dimethylthiophen-2-yl)-N-methyl-1-(oxan-2-yl)methanamine.
What is the SMILES notation for 1-(3,5-dimethylthiophen-2-yl)-N-methyl-1-(oxan-2-yl)methanamine?
The canonical SMILES for 1-(3,5-dimethylthiophen-2-yl)-N-methyl-1-(oxan-2-yl)methanamine is CNC(c1sc(C)cc1C)C1CCCCO1.
What is the InChIKey of 1-(3,5-dimethylthiophen-2-yl)-N-methyl-1-(oxan-2-yl)methanamine?
The InChIKey is SHWDZWADKHYRTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-9-8-10(2)16-13(9)12(14-3)11-6-4-5-7-15-11/h8,11-12,14H,4-7H2,1-3H3.
What are the key properties of 1-(3,5-dimethylthiophen-2-yl)-N-methyl-1-(oxan-2-yl)methanamine?
1-(3,5-dimethylthiophen-2-yl)-N-methyl-1-(oxan-2-yl)methanamine has a molecular weight of 239.38 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylthiophen-2-yl)-N-methyl-1-(oxan-2-yl)methanamine is sourced from PubChem (CID 81156279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).