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

C10H18N2OS — CID 66386904

IUPAC2-[(3-ethoxypropylamino)methyl]thiophen-3-amine
SMILESCCOCCCNCc1sccc1N
InChIInChI=1S/C10H18N2OS/c1-2-13-6-3-5-12-8-10-9(11)4-7-14-10/h4,7,12H,2-3,5-6,8,11H2,1H3
InChIKeyZGDJPULGKQHPEY-UHFFFAOYSA-N
MW214.33 g/mol
LogP1.85
Rot. Bonds7

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

2-[(3-ethoxypropylamino)methyl]thiophen-3-amine (PubChem CID 66386904) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is 2-[(3-ethoxypropylamino)methyl]thiophen-3-amine.

Molecular Properties

Compound Name2-[(3-ethoxypropylamino)methyl]thiophen-3-amine
PubChem CID66386904
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name2-[(3-ethoxypropylamino)methyl]thiophen-3-amine
SMILESCCOCCCNCc1sccc1N
InChIInChI=1S/C10H18N2OS/c1-2-13-6-3-5-12-8-10-9(11)4-7-14-10/h4,7,12H,2-3,5-6,8,11H2,1H3
InChIKeyZGDJPULGKQHPEY-UHFFFAOYSA-N
XLogP1.85
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 51.85
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-[(3-ethoxypropylamino)methyl]thiophen-3-amine?
The IUPAC name of 2-[(3-ethoxypropylamino)methyl]thiophen-3-amine (CID 66386904) is 2-[(3-ethoxypropylamino)methyl]thiophen-3-amine.
What is the SMILES notation for 2-[(3-ethoxypropylamino)methyl]thiophen-3-amine?
The canonical SMILES for 2-[(3-ethoxypropylamino)methyl]thiophen-3-amine is CCOCCCNCc1sccc1N.
What is the InChIKey of 2-[(3-ethoxypropylamino)methyl]thiophen-3-amine?
The InChIKey is ZGDJPULGKQHPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-2-13-6-3-5-12-8-10-9(11)4-7-14-10/h4,7,12H,2-3,5-6,8,11H2,1H3.
What are the key properties of 2-[(3-ethoxypropylamino)methyl]thiophen-3-amine?
2-[(3-ethoxypropylamino)methyl]thiophen-3-amine has a molecular weight of 214.33 g/mol, XLogP of 1.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethoxypropylamino)methyl]thiophen-3-amine is sourced from PubChem (CID 66386904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).