2-[(2-cyclopentyloxyethylamino)methyl]thiophen-3-amine

C12H20N2OS — CID 66386209

IUPAC2-[(2-cyclopentyloxyethylamino)methyl]thiophen-3-amine
SMILESNc1ccsc1CNCCOC1CCCC1
InChIInChI=1S/C12H20N2OS/c13-11-5-8-16-12(11)9-14-6-7-15-10-3-1-2-4-10/h5,8,10,14H,1-4,6-7,9,13H2
InChIKeyFMTQMRUTEXIMEG-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.38
Rot. Bonds6

About 2-[(2-cyclopentyloxyethylamino)methyl]thiophen-3-amine

2-[(2-cyclopentyloxyethylamino)methyl]thiophen-3-amine (PubChem CID 66386209) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 2-[(2-cyclopentyloxyethylamino)methyl]thiophen-3-amine.

Molecular Properties

Compound Name2-[(2-cyclopentyloxyethylamino)methyl]thiophen-3-amine
PubChem CID66386209
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name2-[(2-cyclopentyloxyethylamino)methyl]thiophen-3-amine
SMILESNc1ccsc1CNCCOC1CCCC1
InChIInChI=1S/C12H20N2OS/c13-11-5-8-16-12(11)9-14-6-7-15-10-3-1-2-4-10/h5,8,10,14H,1-4,6-7,9,13H2
InChIKeyFMTQMRUTEXIMEG-UHFFFAOYSA-N
XLogP2.38
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclopentyloxyethylamino)methyl]thiophen-3-amine?
The IUPAC name of 2-[(2-cyclopentyloxyethylamino)methyl]thiophen-3-amine (CID 66386209) is 2-[(2-cyclopentyloxyethylamino)methyl]thiophen-3-amine.
What is the SMILES notation for 2-[(2-cyclopentyloxyethylamino)methyl]thiophen-3-amine?
The canonical SMILES for 2-[(2-cyclopentyloxyethylamino)methyl]thiophen-3-amine is Nc1ccsc1CNCCOC1CCCC1.
What is the InChIKey of 2-[(2-cyclopentyloxyethylamino)methyl]thiophen-3-amine?
The InChIKey is FMTQMRUTEXIMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c13-11-5-8-16-12(11)9-14-6-7-15-10-3-1-2-4-10/h5,8,10,14H,1-4,6-7,9,13H2.
What are the key properties of 2-[(2-cyclopentyloxyethylamino)methyl]thiophen-3-amine?
2-[(2-cyclopentyloxyethylamino)methyl]thiophen-3-amine has a molecular weight of 240.37 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclopentyloxyethylamino)methyl]thiophen-3-amine is sourced from PubChem (CID 66386209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).