1-[2-(2,5-dimethylthiophen-3-yl)oxolan-3-yl]-N-methylmethanamine

C12H19NOS — CID 79367948

IUPAC1-[2-(2,5-dimethylthiophen-3-yl)oxolan-3-yl]-N-methylmethanamine
SMILESCNCC1CCOC1c1cc(C)sc1C
InChIInChI=1S/C12H19NOS/c1-8-6-11(9(2)15-8)12-10(7-13-3)4-5-14-12/h6,10,12-13H,4-5,7H2,1-3H3
InChIKeyAMXQHXPLIOWDSX-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.66
Rot. Bonds3

About 1-[2-(2,5-dimethylthiophen-3-yl)oxolan-3-yl]-N-methylmethanamine

1-[2-(2,5-dimethylthiophen-3-yl)oxolan-3-yl]-N-methylmethanamine (PubChem CID 79367948) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is 1-[2-(2,5-dimethylthiophen-3-yl)oxolan-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(2,5-dimethylthiophen-3-yl)oxolan-3-yl]-N-methylmethanamine
PubChem CID79367948
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name1-[2-(2,5-dimethylthiophen-3-yl)oxolan-3-yl]-N-methylmethanamine
SMILESCNCC1CCOC1c1cc(C)sc1C
InChIInChI=1S/C12H19NOS/c1-8-6-11(9(2)15-8)12-10(7-13-3)4-5-14-12/h6,10,12-13H,4-5,7H2,1-3H3
InChIKeyAMXQHXPLIOWDSX-UHFFFAOYSA-N
XLogP2.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2,5-dimethylthiophen-3-yl)oxolan-3-yl]methanol
CID 79365790
3-(chloromethyl)-2-(2,5-dimethylthiophen-3-yl)oxolane
CID 79373429
N-[[2-(2,5-dimethylthiophen-3-yl)oxolan-3-yl]methyl]-2-methoxyethanamine
CID 79365888
N-[[2-(2,5-dimethylthiophen-3-yl)oxan-3-yl]methyl]-2-methoxyethanamine
CID 79365852
1-[2-(5-bromo-2-methoxyphenyl)oxolan-3-yl]-N-methylmethanamine
CID 79367671
1-[2-(1-benzofuran-2-yl)oxolan-3-yl]-N-methylmethanamine
CID 79367665
N-methyl-1-[2-(4-phenylphenyl)oxolan-3-yl]methanamine
CID 79367575
1-[2-(3-tert-butyl-1-methylpyrazol-4-yl)oxolan-3-yl]-N-methylmethanamine
CID 83094920
1-[2-(5-ethylfuran-2-yl)oxolan-3-yl]-N-methylmethanamine
CID 79367853
1-[2-[3-(difluoromethyl)phenyl]oxolan-3-yl]-N-methylmethanamine
CID 113329497
1-[2-(2,5-difluorophenyl)oxan-3-yl]-N-methylmethanamine
CID 79365802
1-[2-(1,5-dimethylpyrazol-4-yl)oxan-3-yl]-N-methylmethanamine
CID 79596667

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dimethylthiophen-3-yl)oxolan-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(2,5-dimethylthiophen-3-yl)oxolan-3-yl]-N-methylmethanamine (CID 79367948) is 1-[2-(2,5-dimethylthiophen-3-yl)oxolan-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(2,5-dimethylthiophen-3-yl)oxolan-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(2,5-dimethylthiophen-3-yl)oxolan-3-yl]-N-methylmethanamine is CNCC1CCOC1c1cc(C)sc1C.
What is the InChIKey of 1-[2-(2,5-dimethylthiophen-3-yl)oxolan-3-yl]-N-methylmethanamine?
The InChIKey is AMXQHXPLIOWDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-8-6-11(9(2)15-8)12-10(7-13-3)4-5-14-12/h6,10,12-13H,4-5,7H2,1-3H3.
What are the key properties of 1-[2-(2,5-dimethylthiophen-3-yl)oxolan-3-yl]-N-methylmethanamine?
1-[2-(2,5-dimethylthiophen-3-yl)oxolan-3-yl]-N-methylmethanamine has a molecular weight of 225.36 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dimethylthiophen-3-yl)oxolan-3-yl]-N-methylmethanamine is sourced from PubChem (CID 79367948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).