2-[[(1-methylpiperidin-3-yl)methylamino]methyl]thiophen-3-amine

C12H21N3S — CID 66387990

IUPAC2-[[(1-methylpiperidin-3-yl)methylamino]methyl]thiophen-3-amine
SMILESCN1CCCC(CNCc2sccc2N)C1
InChIInChI=1S/C12H21N3S/c1-15-5-2-3-10(9-15)7-14-8-12-11(13)4-6-16-12/h4,6,10,14H,2-3,5,7-9,13H2,1H3
InChIKeyVFACGHYCWOBBEU-UHFFFAOYSA-N
MW239.39 g/mol
LogP1.76
Rot. Bonds4

About 2-[[(1-methylpiperidin-3-yl)methylamino]methyl]thiophen-3-amine

2-[[(1-methylpiperidin-3-yl)methylamino]methyl]thiophen-3-amine (PubChem CID 66387990) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 2-[[(1-methylpiperidin-3-yl)methylamino]methyl]thiophen-3-amine.

Molecular Properties

Compound Name2-[[(1-methylpiperidin-3-yl)methylamino]methyl]thiophen-3-amine
PubChem CID66387990
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name2-[[(1-methylpiperidin-3-yl)methylamino]methyl]thiophen-3-amine
SMILESCN1CCCC(CNCc2sccc2N)C1
InChIInChI=1S/C12H21N3S/c1-15-5-2-3-10(9-15)7-14-8-12-11(13)4-6-16-12/h4,6,10,14H,2-3,5,7-9,13H2,1H3
InChIKeyVFACGHYCWOBBEU-UHFFFAOYSA-N
XLogP1.76
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]thiophen-3-amine
CID 66384964
2-[[(1-ethylpiperidin-4-yl)methylamino]methyl]thiophen-3-amine
CID 66387988
2-(methylaminomethyl)-N-[(1-methylpiperidin-3-yl)methyl]thiophene-3-sulfonamide
CID 106050570
tert-butyl 3-[2-[(3-aminothiophen-2-yl)methylamino]ethyl]piperidine-1-carboxylate
CID 107249854
1-(1-methylpiperidin-3-yl)-N-(1H-pyrrol-3-ylmethyl)methanamine
CID 66410289
1-(1-methylpiperidin-3-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]methanamine
CID 62659433
4-[[(1-methylpiperidin-3-yl)methylamino]methyl]benzenesulfonamide
CID 62655230
N'-hydroxy-4-[[(1-methylpiperidin-3-yl)methylamino]methyl]benzenecarboximidamide
CID 77032157
methyl 2-[5-[[(1-methylpiperidin-3-yl)methylamino]methyl]thiophen-2-yl]acetate
CID 82893926
2-[(3-aminothiophen-2-yl)methylamino]-1-cyclopropylethanol
CID 66387405
1-(1-methylpiperidin-3-yl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]methanamine
CID 64770921
N-[(1-ethylpyrazol-4-yl)methyl]-1-[(3R)-1-methylpiperidin-3-yl]methanamine
CID 94358827

Frequently Asked Questions

What is the IUPAC name of 2-[[(1-methylpiperidin-3-yl)methylamino]methyl]thiophen-3-amine?
The IUPAC name of 2-[[(1-methylpiperidin-3-yl)methylamino]methyl]thiophen-3-amine (CID 66387990) is 2-[[(1-methylpiperidin-3-yl)methylamino]methyl]thiophen-3-amine.
What is the SMILES notation for 2-[[(1-methylpiperidin-3-yl)methylamino]methyl]thiophen-3-amine?
The canonical SMILES for 2-[[(1-methylpiperidin-3-yl)methylamino]methyl]thiophen-3-amine is CN1CCCC(CNCc2sccc2N)C1.
What is the InChIKey of 2-[[(1-methylpiperidin-3-yl)methylamino]methyl]thiophen-3-amine?
The InChIKey is VFACGHYCWOBBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-15-5-2-3-10(9-15)7-14-8-12-11(13)4-6-16-12/h4,6,10,14H,2-3,5,7-9,13H2,1H3.
What are the key properties of 2-[[(1-methylpiperidin-3-yl)methylamino]methyl]thiophen-3-amine?
2-[[(1-methylpiperidin-3-yl)methylamino]methyl]thiophen-3-amine has a molecular weight of 239.39 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1-methylpiperidin-3-yl)methylamino]methyl]thiophen-3-amine is sourced from PubChem (CID 66387990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).