N-methyl-1-[3-methyl-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methanamine

C12H20N2S — CID 106318625

IUPACN-methyl-1-[3-methyl-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methanamine
SMILESCNCC1(C)CCN(Cc2cccs2)C1
InChIInChI=1S/C12H20N2S/c1-12(9-13-2)5-6-14(10-12)8-11-4-3-7-15-11/h3-4,7,13H,5-6,8-10H2,1-2H3
InChIKeyYBRLJBKANHCHEA-UHFFFAOYSA-N
MW224.37 g/mol
LogP2.18
Rot. Bonds4

About N-methyl-1-[3-methyl-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methanamine

N-methyl-1-[3-methyl-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methanamine (PubChem CID 106318625) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is N-methyl-1-[3-methyl-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-methyl-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methanamine
PubChem CID106318625
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC NameN-methyl-1-[3-methyl-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methanamine
SMILESCNCC1(C)CCN(Cc2cccs2)C1
InChIInChI=1S/C12H20N2S/c1-12(9-13-2)5-6-14(10-12)8-11-4-3-7-15-11/h3-4,7,13H,5-6,8-10H2,1-2H3
InChIKeyYBRLJBKANHCHEA-UHFFFAOYSA-N
XLogP2.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[(3-bromothiophen-2-yl)methyl]-3-methylpyrrolidin-3-yl]-N-methylmethanamine
CID 106318690
[4-methyl-1-(thiophen-2-ylmethyl)piperidin-4-yl]methanol
CID 104695288
3,9-bis(thiophen-2-ylmethyl)-3,9-diazaspiro[5.5]undecane
CID 97370579
1-[1-[(3-chlorophenyl)methyl]-3-methylpyrrolidin-3-yl]-N-methylmethanamine
CID 114172884
N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-thiophen-2-ylmethanamine
CID 103992175
N-methyl-1-[3-methyl-1-(2-phenylethyl)pyrrolidin-3-yl]methanamine
CID 106318668
1-(thiophen-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63710730
N-methyl-1-(thiophen-2-ylmethyl)pyrrolidin-3-amine
CID 60861984
N-methyl-1-[3-methyl-1-(3-phenoxypropyl)pyrrolidin-3-yl]methanamine
CID 106318811
4-(thiophen-2-ylmethyl)thiomorpholine
CID 792399
N-pyrimidin-2-yl-6-(thiophen-2-ylmethyl)-6-azaspiro[3.4]octan-2-amine
CID 98894515
4-benzyl-9-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
CID 97372231

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-methyl-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methanamine?
The IUPAC name of N-methyl-1-[3-methyl-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methanamine (CID 106318625) is N-methyl-1-[3-methyl-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[3-methyl-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[3-methyl-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methanamine is CNCC1(C)CCN(Cc2cccs2)C1.
What is the InChIKey of N-methyl-1-[3-methyl-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methanamine?
The InChIKey is YBRLJBKANHCHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-12(9-13-2)5-6-14(10-12)8-11-4-3-7-15-11/h3-4,7,13H,5-6,8-10H2,1-2H3.
What are the key properties of N-methyl-1-[3-methyl-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methanamine?
N-methyl-1-[3-methyl-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methanamine has a molecular weight of 224.37 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-methyl-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 106318625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).