N-methyl-1-(2-methylpyrrolidin-3-yl)-N-(thiophen-3-ylmethyl)methanamine

C12H20N2S — CID 79385237

IUPACN-methyl-1-(2-methylpyrrolidin-3-yl)-N-(thiophen-3-ylmethyl)methanamine
SMILESCC1NCCC1CN(C)Cc1ccsc1
InChIInChI=1S/C12H20N2S/c1-10-12(3-5-13-10)8-14(2)7-11-4-6-15-9-11/h4,6,9-10,12-13H,3,5,7-8H2,1-2H3
InChIKeyUTLDDWPTZLJUKC-UHFFFAOYSA-N
MW224.37 g/mol
LogP2.18
Rot. Bonds4

About N-methyl-1-(2-methylpyrrolidin-3-yl)-N-(thiophen-3-ylmethyl)methanamine

N-methyl-1-(2-methylpyrrolidin-3-yl)-N-(thiophen-3-ylmethyl)methanamine (PubChem CID 79385237) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is N-methyl-1-(2-methylpyrrolidin-3-yl)-N-(thiophen-3-ylmethyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(2-methylpyrrolidin-3-yl)-N-(thiophen-3-ylmethyl)methanamine
PubChem CID79385237
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC NameN-methyl-1-(2-methylpyrrolidin-3-yl)-N-(thiophen-3-ylmethyl)methanamine
SMILESCC1NCCC1CN(C)Cc1ccsc1
InChIInChI=1S/C12H20N2S/c1-10-12(3-5-13-10)8-14(2)7-11-4-6-15-9-11/h4,6,9-10,12-13H,3,5,7-8H2,1-2H3
InChIKeyUTLDDWPTZLJUKC-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

N-[(4-bromophenyl)methyl]-N-methyl-1-(2-methylpyrrolidin-3-yl)methanamine
CID 79385037
2-[[methyl(thiophen-3-ylmethyl)amino]methyl]cyclopentan-1-amine
CID 62615595
N,4-dimethyl-2-[[methyl(thiophen-3-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 62616435
4-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxolan-3-amine
CID 66235906
N-methyl-1-(oxiran-2-yl)-N-(thiophen-3-ylmethyl)methanamine
CID 43528182
[4-[[methyl(thiophen-3-ylmethyl)amino]methyl]cyclohexyl]methanamine
CID 79527589
4-ethyl-2-[[methyl(thiophen-3-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 55093939
N-methyl-2-piperidin-4-yl-N-(thiophen-3-ylmethyl)ethanamine
CID 61029974
N-ethyl-2-[[methyl(thiophen-3-ylmethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine
CID 63482196
N,3,5-trimethyl-2-[[methyl(thiophen-3-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 64734849
N-methyl-1-(1,2,3,4-tetrahydroisoquinolin-4-yl)-N-(thiophen-3-ylmethyl)methanamine
CID 65261890
N,3-dimethyl-N-(thiophen-3-ylmethyl)piperidine-2-carboxamide
CID 107067215

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methylpyrrolidin-3-yl)-N-(thiophen-3-ylmethyl)methanamine?
The IUPAC name of N-methyl-1-(2-methylpyrrolidin-3-yl)-N-(thiophen-3-ylmethyl)methanamine (CID 79385237) is N-methyl-1-(2-methylpyrrolidin-3-yl)-N-(thiophen-3-ylmethyl)methanamine.
What is the SMILES notation for N-methyl-1-(2-methylpyrrolidin-3-yl)-N-(thiophen-3-ylmethyl)methanamine?
The canonical SMILES for N-methyl-1-(2-methylpyrrolidin-3-yl)-N-(thiophen-3-ylmethyl)methanamine is CC1NCCC1CN(C)Cc1ccsc1.
What is the InChIKey of N-methyl-1-(2-methylpyrrolidin-3-yl)-N-(thiophen-3-ylmethyl)methanamine?
The InChIKey is UTLDDWPTZLJUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-10-12(3-5-13-10)8-14(2)7-11-4-6-15-9-11/h4,6,9-10,12-13H,3,5,7-8H2,1-2H3.
What are the key properties of N-methyl-1-(2-methylpyrrolidin-3-yl)-N-(thiophen-3-ylmethyl)methanamine?
N-methyl-1-(2-methylpyrrolidin-3-yl)-N-(thiophen-3-ylmethyl)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-(2-methylpyrrolidin-3-yl)-N-(thiophen-3-ylmethyl)methanamine is sourced from PubChem (CID 79385237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).