1-(3,4-dimethylthiophen-2-yl)-N-methylmethanamine

C8H13NS — CID 90764518

IUPAC1-(3,4-dimethylthiophen-2-yl)-N-methylmethanamine
SMILESCNCc1scc(C)c1C
InChIInChI=1S/C8H13NS/c1-6-5-10-8(4-9-3)7(6)2/h5,9H,4H2,1-3H3
InChIKeyZUPZSUGTHZZZHT-UHFFFAOYSA-N
MW155.27 g/mol
LogP2.08
Rot. Bonds2

About 1-(3,4-dimethylthiophen-2-yl)-N-methylmethanamine

1-(3,4-dimethylthiophen-2-yl)-N-methylmethanamine (PubChem CID 90764518) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is 1-(3,4-dimethylthiophen-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3,4-dimethylthiophen-2-yl)-N-methylmethanamine
PubChem CID90764518
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC Name1-(3,4-dimethylthiophen-2-yl)-N-methylmethanamine
SMILESCNCc1scc(C)c1C
InChIInChI=1S/C8H13NS/c1-6-5-10-8(4-9-3)7(6)2/h5,9H,4H2,1-3H3
InChIKeyZUPZSUGTHZZZHT-UHFFFAOYSA-N
XLogP2.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.27
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;2-ethyl-3,4-dimethylthiophene
CID 154656862
2-(3,4-dimethylthiophen-2-yl)ethanamine
CID 82648461
3,4-dimethyl-2-pentylthiophene
CID 151508596
4-methyl-2-(methylaminomethyl)-N-(2-methylbutan-2-yl)thiophene-3-sulfonamide
CID 114138798
4-methyl-2-(methylaminomethyl)-N-(3-propoxypropyl)thiophene-3-sulfonamide
CID 106074140
2-heptyl-3,4-dimethylthiophene
CID 142681632
(3,4-dimethylthiophen-2-yl)methyl acetate
CID 101466791
N-methyl-1-[3-(4-methylthiophen-3-yl)thiophen-2-yl]methanamine
CID 164649492
N-(cyclopentylmethyl)-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106026679
1-[3-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-4-methylthiophen-2-yl]-N-methylmethanamine
CID 102754265
N-(2,6-dichlorophenyl)-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106066930
N-methyl-1-(3,5,6-trimethyl-1-benzothiophen-2-yl)methanamine
CID 81047775

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylthiophen-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(3,4-dimethylthiophen-2-yl)-N-methylmethanamine (CID 90764518) is 1-(3,4-dimethylthiophen-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3,4-dimethylthiophen-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3,4-dimethylthiophen-2-yl)-N-methylmethanamine is CNCc1scc(C)c1C.
What is the InChIKey of 1-(3,4-dimethylthiophen-2-yl)-N-methylmethanamine?
The InChIKey is ZUPZSUGTHZZZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NS/c1-6-5-10-8(4-9-3)7(6)2/h5,9H,4H2,1-3H3.
What are the key properties of 1-(3,4-dimethylthiophen-2-yl)-N-methylmethanamine?
1-(3,4-dimethylthiophen-2-yl)-N-methylmethanamine has a molecular weight of 155.27 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylthiophen-2-yl)-N-methylmethanamine is sourced from PubChem (CID 90764518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).