(2,5-dimethylthiophen-3-yl)methanamine

C7H11NS — CID 46784114

IUPAC(2,5-dimethylthiophen-3-yl)methanamine
SMILESCc1cc(CN)c(C)s1
InChIInChI=1S/C7H11NS/c1-5-3-7(4-8)6(2)9-5/h3H,4,8H2,1-2H3
InChIKeyDXMACNBVEGINGQ-UHFFFAOYSA-N
MW141.24 g/mol
LogP1.82
Rot. Bonds1

About (2,5-dimethylthiophen-3-yl)methanamine

(2,5-dimethylthiophen-3-yl)methanamine (PubChem CID 46784114) has the molecular formula C7H11NS and a molecular weight of 141.24 g/mol. Its IUPAC name is (2,5-dimethylthiophen-3-yl)methanamine.

Molecular Properties

Compound Name(2,5-dimethylthiophen-3-yl)methanamine
PubChem CID46784114
Molecular FormulaC7H11NS
Molecular Weight141.24 g/mol
Exact Mass141.06
IUPAC Name(2,5-dimethylthiophen-3-yl)methanamine
SMILESCc1cc(CN)c(C)s1
InChIInChI=1S/C7H11NS/c1-5-3-7(4-8)6(2)9-5/h3H,4,8H2,1-2H3
InChIKeyDXMACNBVEGINGQ-UHFFFAOYSA-N
XLogP1.82
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.24
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylthiophen-3-yl)methanamine?
The IUPAC name of (2,5-dimethylthiophen-3-yl)methanamine (CID 46784114) is (2,5-dimethylthiophen-3-yl)methanamine.
What is the SMILES notation for (2,5-dimethylthiophen-3-yl)methanamine?
The canonical SMILES for (2,5-dimethylthiophen-3-yl)methanamine is Cc1cc(CN)c(C)s1.
What is the InChIKey of (2,5-dimethylthiophen-3-yl)methanamine?
The InChIKey is DXMACNBVEGINGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NS/c1-5-3-7(4-8)6(2)9-5/h3H,4,8H2,1-2H3.
What are the key properties of (2,5-dimethylthiophen-3-yl)methanamine?
(2,5-dimethylthiophen-3-yl)methanamine has a molecular weight of 141.24 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylthiophen-3-yl)methanamine is sourced from PubChem (CID 46784114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).