2-[[(2,3-dimethylcyclopentyl)amino]methyl]thiophen-3-amine

C12H20N2S — CID 66385415

IUPAC2-[[(2,3-dimethylcyclopentyl)amino]methyl]thiophen-3-amine
SMILESCC1CCC(NCc2sccc2N)C1C
InChIInChI=1S/C12H20N2S/c1-8-3-4-11(9(8)2)14-7-12-10(13)5-6-15-12/h5-6,8-9,11,14H,3-4,7,13H2,1-2H3
InChIKeyVHYRKJLUBFSICU-UHFFFAOYSA-N
MW224.37 g/mol
LogP2.85
Rot. Bonds3

About 2-[[(2,3-dimethylcyclopentyl)amino]methyl]thiophen-3-amine

2-[[(2,3-dimethylcyclopentyl)amino]methyl]thiophen-3-amine (PubChem CID 66385415) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is 2-[[(2,3-dimethylcyclopentyl)amino]methyl]thiophen-3-amine.

Molecular Properties

Compound Name2-[[(2,3-dimethylcyclopentyl)amino]methyl]thiophen-3-amine
PubChem CID66385415
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC Name2-[[(2,3-dimethylcyclopentyl)amino]methyl]thiophen-3-amine
SMILESCC1CCC(NCc2sccc2N)C1C
InChIInChI=1S/C12H20N2S/c1-8-3-4-11(9(8)2)14-7-12-10(13)5-6-15-12/h5-6,8-9,11,14H,3-4,7,13H2,1-2H3
InChIKeyVHYRKJLUBFSICU-UHFFFAOYSA-N
XLogP2.85
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2,3-dimethylcyclopentyl)amino]methyl]thiophen-3-amine?
The IUPAC name of 2-[[(2,3-dimethylcyclopentyl)amino]methyl]thiophen-3-amine (CID 66385415) is 2-[[(2,3-dimethylcyclopentyl)amino]methyl]thiophen-3-amine.
What is the SMILES notation for 2-[[(2,3-dimethylcyclopentyl)amino]methyl]thiophen-3-amine?
The canonical SMILES for 2-[[(2,3-dimethylcyclopentyl)amino]methyl]thiophen-3-amine is CC1CCC(NCc2sccc2N)C1C.
What is the InChIKey of 2-[[(2,3-dimethylcyclopentyl)amino]methyl]thiophen-3-amine?
The InChIKey is VHYRKJLUBFSICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-8-3-4-11(9(8)2)14-7-12-10(13)5-6-15-12/h5-6,8-9,11,14H,3-4,7,13H2,1-2H3.
What are the key properties of 2-[[(2,3-dimethylcyclopentyl)amino]methyl]thiophen-3-amine?
2-[[(2,3-dimethylcyclopentyl)amino]methyl]thiophen-3-amine has a molecular weight of 224.37 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2,3-dimethylcyclopentyl)amino]methyl]thiophen-3-amine is sourced from PubChem (CID 66385415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).