[4-[(3,3-dimethylpyrrolidin-1-yl)methyl]-5-methylthiophen-2-yl]methanamine

C13H22N2S — CID 80729947

IUPAC[4-[(3,3-dimethylpyrrolidin-1-yl)methyl]-5-methylthiophen-2-yl]methanamine
SMILESCc1sc(CN)cc1CN1CCC(C)(C)C1
InChIInChI=1S/C13H22N2S/c1-10-11(6-12(7-14)16-10)8-15-5-4-13(2,3)9-15/h6H,4-5,7-9,14H2,1-3H3
InChIKeyBPFGCPXBFYEIKO-UHFFFAOYSA-N
MW238.40 g/mol
LogP2.75
Rot. Bonds3

About [4-[(3,3-dimethylpyrrolidin-1-yl)methyl]-5-methylthiophen-2-yl]methanamine

[4-[(3,3-dimethylpyrrolidin-1-yl)methyl]-5-methylthiophen-2-yl]methanamine (PubChem CID 80729947) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is [4-[(3,3-dimethylpyrrolidin-1-yl)methyl]-5-methylthiophen-2-yl]methanamine.

Molecular Properties

Compound Name[4-[(3,3-dimethylpyrrolidin-1-yl)methyl]-5-methylthiophen-2-yl]methanamine
PubChem CID80729947
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name[4-[(3,3-dimethylpyrrolidin-1-yl)methyl]-5-methylthiophen-2-yl]methanamine
SMILESCc1sc(CN)cc1CN1CCC(C)(C)C1
InChIInChI=1S/C13H22N2S/c1-10-11(6-12(7-14)16-10)8-15-5-4-13(2,3)9-15/h6H,4-5,7-9,14H2,1-3H3
InChIKeyBPFGCPXBFYEIKO-UHFFFAOYSA-N
XLogP2.75
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-methyl-4-[(4-methylpiperidin-1-yl)methyl]thiophen-2-yl]methanamine
CID 80727522
[5-methyl-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]thiophen-2-yl]methanamine
CID 80729487
[4-[(2,6-dimethylthiomorpholin-4-yl)methyl]-5-methylthiophen-2-yl]methanamine
CID 80728525
1-[4-[(4,4-dimethylazepan-1-yl)methyl]-5-methylthiophen-2-yl]-N-methylmethanamine
CID 80728998
[5-methyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]thiophen-2-yl]methanamine
CID 80719354
[5-methyl-4-[(4-methylsulfanylazepan-1-yl)methyl]thiophen-2-yl]methanamine
CID 114238335
1-[(5-bromothiophen-2-yl)methyl]-3,3-dimethylpyrrolidine
CID 79037902
[5-methyl-4-(1,2,4-triazol-1-ylmethyl)thiophen-2-yl]methanamine
CID 80729759
2-[(3,3-dimethylpyrrolidin-1-yl)methyl]-6-methylphenol
CID 112553679
4-[(3,3-dimethylpyrrolidin-1-yl)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114482998
4-chloro-2-[(3,3-dimethylpyrrolidin-1-yl)methyl]-6-methylpyrimidine
CID 80664010
[4-[(3,5-diethylpyrazol-1-yl)methyl]-5-methylthiophen-2-yl]methanamine
CID 82695382

Frequently Asked Questions

What is the IUPAC name of [4-[(3,3-dimethylpyrrolidin-1-yl)methyl]-5-methylthiophen-2-yl]methanamine?
The IUPAC name of [4-[(3,3-dimethylpyrrolidin-1-yl)methyl]-5-methylthiophen-2-yl]methanamine (CID 80729947) is [4-[(3,3-dimethylpyrrolidin-1-yl)methyl]-5-methylthiophen-2-yl]methanamine.
What is the SMILES notation for [4-[(3,3-dimethylpyrrolidin-1-yl)methyl]-5-methylthiophen-2-yl]methanamine?
The canonical SMILES for [4-[(3,3-dimethylpyrrolidin-1-yl)methyl]-5-methylthiophen-2-yl]methanamine is Cc1sc(CN)cc1CN1CCC(C)(C)C1.
What is the InChIKey of [4-[(3,3-dimethylpyrrolidin-1-yl)methyl]-5-methylthiophen-2-yl]methanamine?
The InChIKey is BPFGCPXBFYEIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-10-11(6-12(7-14)16-10)8-15-5-4-13(2,3)9-15/h6H,4-5,7-9,14H2,1-3H3.
What are the key properties of [4-[(3,3-dimethylpyrrolidin-1-yl)methyl]-5-methylthiophen-2-yl]methanamine?
[4-[(3,3-dimethylpyrrolidin-1-yl)methyl]-5-methylthiophen-2-yl]methanamine has a molecular weight of 238.40 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3,3-dimethylpyrrolidin-1-yl)methyl]-5-methylthiophen-2-yl]methanamine is sourced from PubChem (CID 80729947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).