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

C10H18N2S — CID 66386096

IUPAC2-[(pentylamino)methyl]thiophen-3-amine
SMILESCCCCCNCc1sccc1N
InChIInChI=1S/C10H18N2S/c1-2-3-4-6-12-8-10-9(11)5-7-13-10/h5,7,12H,2-4,6,8,11H2,1H3
InChIKeyJVBYGFPQEBFJJF-UHFFFAOYSA-N
MW198.34 g/mol
LogP2.61
Rot. Bonds6

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

2-[(pentylamino)methyl]thiophen-3-amine (PubChem CID 66386096) has the molecular formula C10H18N2S and a molecular weight of 198.34 g/mol. Its IUPAC name is 2-[(pentylamino)methyl]thiophen-3-amine.

Molecular Properties

Compound Name2-[(pentylamino)methyl]thiophen-3-amine
PubChem CID66386096
Molecular FormulaC10H18N2S
Molecular Weight198.34 g/mol
Exact Mass198.12
IUPAC Name2-[(pentylamino)methyl]thiophen-3-amine
SMILESCCCCCNCc1sccc1N
InChIInChI=1S/C10H18N2S/c1-2-3-4-6-12-8-10-9(11)5-7-13-10/h5,7,12H,2-4,6,8,11H2,1H3
InChIKeyJVBYGFPQEBFJJF-UHFFFAOYSA-N
XLogP2.61
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.34
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[(pentylamino)methyl]thiophen-3-amine?
The IUPAC name of 2-[(pentylamino)methyl]thiophen-3-amine (CID 66386096) is 2-[(pentylamino)methyl]thiophen-3-amine.
What is the SMILES notation for 2-[(pentylamino)methyl]thiophen-3-amine?
The canonical SMILES for 2-[(pentylamino)methyl]thiophen-3-amine is CCCCCNCc1sccc1N.
What is the InChIKey of 2-[(pentylamino)methyl]thiophen-3-amine?
The InChIKey is JVBYGFPQEBFJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S/c1-2-3-4-6-12-8-10-9(11)5-7-13-10/h5,7,12H,2-4,6,8,11H2,1H3.
What are the key properties of 2-[(pentylamino)methyl]thiophen-3-amine?
2-[(pentylamino)methyl]thiophen-3-amine has a molecular weight of 198.34 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(pentylamino)methyl]thiophen-3-amine is sourced from PubChem (CID 66386096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).