N-methyl-1-[5-methyl-4-[(3-methylpyrrolidin-1-yl)methyl]thiophen-2-yl]methanamine

C13H22N2S — CID 80728289

IUPACN-methyl-1-[5-methyl-4-[(3-methylpyrrolidin-1-yl)methyl]thiophen-2-yl]methanamine
SMILESCNCc1cc(CN2CCC(C)C2)c(C)s1
InChIInChI=1S/C13H22N2S/c1-10-4-5-15(8-10)9-12-6-13(7-14-3)16-11(12)2/h6,10,14H,4-5,7-9H2,1-3H3
InChIKeyFDIHJSZAEXPONX-UHFFFAOYSA-N
MW238.40 g/mol
LogP2.62
Rot. Bonds4

About N-methyl-1-[5-methyl-4-[(3-methylpyrrolidin-1-yl)methyl]thiophen-2-yl]methanamine

N-methyl-1-[5-methyl-4-[(3-methylpyrrolidin-1-yl)methyl]thiophen-2-yl]methanamine (PubChem CID 80728289) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is N-methyl-1-[5-methyl-4-[(3-methylpyrrolidin-1-yl)methyl]thiophen-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-methyl-4-[(3-methylpyrrolidin-1-yl)methyl]thiophen-2-yl]methanamine
PubChem CID80728289
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC NameN-methyl-1-[5-methyl-4-[(3-methylpyrrolidin-1-yl)methyl]thiophen-2-yl]methanamine
SMILESCNCc1cc(CN2CCC(C)C2)c(C)s1
InChIInChI=1S/C13H22N2S/c1-10-4-5-15(8-10)9-12-6-13(7-14-3)16-11(12)2/h6,10,14H,4-5,7-9H2,1-3H3
InChIKeyFDIHJSZAEXPONX-UHFFFAOYSA-N
XLogP2.62
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[5-methyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]thiophen-2-yl]methanamine
CID 80728999
N-methyl-1-[5-methyl-4-[(4-propylpiperidin-1-yl)methyl]thiophen-2-yl]methanamine
CID 80727670
[5-methyl-4-[(4-methylpiperidin-1-yl)methyl]thiophen-2-yl]methanamine
CID 80727522
1-[4-[(4,4-dimethylazepan-1-yl)methyl]-5-methylthiophen-2-yl]-N-methylmethanamine
CID 80728998
N-methyl-1-[5-methyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]thiophen-2-yl]methanamine
CID 80728900
1-[4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)-5-methylthiophen-2-yl]-N-methylmethanamine
CID 80729300
N-[[4-[(3-methoxypyrrolidin-1-yl)methyl]-5-methylthiophen-2-yl]methyl]propan-1-amine
CID 103539771
N-methyl-1-[5-[(3-methylpyrrolidin-1-yl)methyl]furan-3-yl]methanamine
CID 62428197
1-[[5-[(cyclopropylamino)methyl]-2-methylthiophen-3-yl]methyl]-N,N-dimethylpiperidin-4-amine
CID 80719747
N-[[5-methyl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine
CID 103503337
N-methyl-1-[3-[(3-methylpyrrolidin-1-yl)methyl]-1-benzothiophen-2-yl]methanamine
CID 62427654
N-[[4-[(2,5-dimethylpiperidin-1-yl)methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine
CID 80720631

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-methyl-4-[(3-methylpyrrolidin-1-yl)methyl]thiophen-2-yl]methanamine?
The IUPAC name of N-methyl-1-[5-methyl-4-[(3-methylpyrrolidin-1-yl)methyl]thiophen-2-yl]methanamine (CID 80728289) is N-methyl-1-[5-methyl-4-[(3-methylpyrrolidin-1-yl)methyl]thiophen-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-methyl-4-[(3-methylpyrrolidin-1-yl)methyl]thiophen-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-methyl-4-[(3-methylpyrrolidin-1-yl)methyl]thiophen-2-yl]methanamine is CNCc1cc(CN2CCC(C)C2)c(C)s1.
What is the InChIKey of N-methyl-1-[5-methyl-4-[(3-methylpyrrolidin-1-yl)methyl]thiophen-2-yl]methanamine?
The InChIKey is FDIHJSZAEXPONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-10-4-5-15(8-10)9-12-6-13(7-14-3)16-11(12)2/h6,10,14H,4-5,7-9H2,1-3H3.
What are the key properties of N-methyl-1-[5-methyl-4-[(3-methylpyrrolidin-1-yl)methyl]thiophen-2-yl]methanamine?
N-methyl-1-[5-methyl-4-[(3-methylpyrrolidin-1-yl)methyl]thiophen-2-yl]methanamine has a molecular weight of 238.40 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-methyl-4-[(3-methylpyrrolidin-1-yl)methyl]thiophen-2-yl]methanamine is sourced from PubChem (CID 80728289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).