1-(4,5-dimethylthiophen-2-yl)-N-[(2-methylpyrrolidin-2-yl)methyl]methanamine

C13H22N2S — CID 65241098

IUPAC1-(4,5-dimethylthiophen-2-yl)-N-[(2-methylpyrrolidin-2-yl)methyl]methanamine
SMILESCc1cc(CNCC2(C)CCCN2)sc1C
InChIInChI=1S/C13H22N2S/c1-10-7-12(16-11(10)2)8-14-9-13(3)5-4-6-15-13/h7,14-15H,4-6,8-9H2,1-3H3
InChIKeyRTZVBVJEBZLRLN-UHFFFAOYSA-N
MW238.40 g/mol
LogP2.60
Rot. Bonds4

About 1-(4,5-dimethylthiophen-2-yl)-N-[(2-methylpyrrolidin-2-yl)methyl]methanamine

1-(4,5-dimethylthiophen-2-yl)-N-[(2-methylpyrrolidin-2-yl)methyl]methanamine (PubChem CID 65241098) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is 1-(4,5-dimethylthiophen-2-yl)-N-[(2-methylpyrrolidin-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(4,5-dimethylthiophen-2-yl)-N-[(2-methylpyrrolidin-2-yl)methyl]methanamine
PubChem CID65241098
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name1-(4,5-dimethylthiophen-2-yl)-N-[(2-methylpyrrolidin-2-yl)methyl]methanamine
SMILESCc1cc(CNCC2(C)CCCN2)sc1C
InChIInChI=1S/C13H22N2S/c1-10-7-12(16-11(10)2)8-14-9-13(3)5-4-6-15-13/h7,14-15H,4-6,8-9H2,1-3H3
InChIKeyRTZVBVJEBZLRLN-UHFFFAOYSA-N
XLogP2.60
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethylthiophen-2-yl)-N-[(2-methylpyrrolidin-2-yl)methyl]methanamine?
The IUPAC name of 1-(4,5-dimethylthiophen-2-yl)-N-[(2-methylpyrrolidin-2-yl)methyl]methanamine (CID 65241098) is 1-(4,5-dimethylthiophen-2-yl)-N-[(2-methylpyrrolidin-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(4,5-dimethylthiophen-2-yl)-N-[(2-methylpyrrolidin-2-yl)methyl]methanamine?
The canonical SMILES for 1-(4,5-dimethylthiophen-2-yl)-N-[(2-methylpyrrolidin-2-yl)methyl]methanamine is Cc1cc(CNCC2(C)CCCN2)sc1C.
What is the InChIKey of 1-(4,5-dimethylthiophen-2-yl)-N-[(2-methylpyrrolidin-2-yl)methyl]methanamine?
The InChIKey is RTZVBVJEBZLRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-10-7-12(16-11(10)2)8-14-9-13(3)5-4-6-15-13/h7,14-15H,4-6,8-9H2,1-3H3.
What are the key properties of 1-(4,5-dimethylthiophen-2-yl)-N-[(2-methylpyrrolidin-2-yl)methyl]methanamine?
1-(4,5-dimethylthiophen-2-yl)-N-[(2-methylpyrrolidin-2-yl)methyl]methanamine has a molecular weight of 238.40 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethylthiophen-2-yl)-N-[(2-methylpyrrolidin-2-yl)methyl]methanamine is sourced from PubChem (CID 65241098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).