1-[(2,5-dimethylthiophen-3-yl)methyl]-4-methylpyrrolidin-3-amine

C12H20N2S — CID 103575263

IUPAC1-[(2,5-dimethylthiophen-3-yl)methyl]-4-methylpyrrolidin-3-amine
SMILESCc1cc(CN2CC(C)C(N)C2)c(C)s1
InChIInChI=1S/C12H20N2S/c1-8-5-14(7-12(8)13)6-11-4-9(2)15-10(11)3/h4,8,12H,5-7,13H2,1-3H3
InChIKeyPGZVZRPTVRWWEC-UHFFFAOYSA-N
MW224.37 g/mol
LogP2.14
Rot. Bonds2

About 1-[(2,5-dimethylthiophen-3-yl)methyl]-4-methylpyrrolidin-3-amine

1-[(2,5-dimethylthiophen-3-yl)methyl]-4-methylpyrrolidin-3-amine (PubChem CID 103575263) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is 1-[(2,5-dimethylthiophen-3-yl)methyl]-4-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[(2,5-dimethylthiophen-3-yl)methyl]-4-methylpyrrolidin-3-amine
PubChem CID103575263
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC Name1-[(2,5-dimethylthiophen-3-yl)methyl]-4-methylpyrrolidin-3-amine
SMILESCc1cc(CN2CC(C)C(N)C2)c(C)s1
InChIInChI=1S/C12H20N2S/c1-8-5-14(7-12(8)13)6-11-4-9(2)15-10(11)3/h4,8,12H,5-7,13H2,1-3H3
InChIKeyPGZVZRPTVRWWEC-UHFFFAOYSA-N
XLogP2.14
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-[(2,5-dimethylthiophen-3-yl)methyl]pyrrolidin-3-amine
CID 94339879
4-methyl-1-[(2,4,5-trimethylphenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120909872
1-[(2,5-dimethylthiophen-3-yl)methyl]-3-methylpiperazine
CID 65416150
1-[1-[(2,5-dimethylthiophen-3-yl)methyl]azetidin-3-yl]piperazine
CID 66202420
1-[(4-fluoro-2-methylphenyl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride
CID 120908869
1-[(2-bromophenyl)methyl]-4-methylpyrrolidin-3-amine
CID 103575185
4-methyl-1-[(2-methyl-1,3-benzothiazol-6-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120908997
4-methyl-1-[(2-methylquinolin-4-yl)methyl]pyrrolidin-3-amine
CID 103575145
1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-4-methylpyrrolidin-3-amine
CID 103576942
3-[(2,5-dimethylthiophen-3-yl)methyl]-3,9-diazabicyclo[4.2.1]nonane
CID 81490392
1-[(2-chloro-5-fluorophenyl)methyl]-4-methylpyrrolidin-3-amine
CID 103576941
4-methyl-1-[(2-methyl-4-nitrophenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120908981

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethylthiophen-3-yl)methyl]-4-methylpyrrolidin-3-amine?
The IUPAC name of 1-[(2,5-dimethylthiophen-3-yl)methyl]-4-methylpyrrolidin-3-amine (CID 103575263) is 1-[(2,5-dimethylthiophen-3-yl)methyl]-4-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-[(2,5-dimethylthiophen-3-yl)methyl]-4-methylpyrrolidin-3-amine?
The canonical SMILES for 1-[(2,5-dimethylthiophen-3-yl)methyl]-4-methylpyrrolidin-3-amine is Cc1cc(CN2CC(C)C(N)C2)c(C)s1.
What is the InChIKey of 1-[(2,5-dimethylthiophen-3-yl)methyl]-4-methylpyrrolidin-3-amine?
The InChIKey is PGZVZRPTVRWWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-8-5-14(7-12(8)13)6-11-4-9(2)15-10(11)3/h4,8,12H,5-7,13H2,1-3H3.
What are the key properties of 1-[(2,5-dimethylthiophen-3-yl)methyl]-4-methylpyrrolidin-3-amine?
1-[(2,5-dimethylthiophen-3-yl)methyl]-4-methylpyrrolidin-3-amine has a molecular weight of 224.37 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dimethylthiophen-3-yl)methyl]-4-methylpyrrolidin-3-amine is sourced from PubChem (CID 103575263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).