2-(butylaminomethyl)thiophen-3-amine

C9H16N2S — CID 66387092

IUPAC2-(butylaminomethyl)thiophen-3-amine
SMILESCCCCNCc1sccc1N
InChIInChI=1S/C9H16N2S/c1-2-3-5-11-7-9-8(10)4-6-12-9/h4,6,11H,2-3,5,7,10H2,1H3
InChIKeyFFLCJNHRAANHAK-UHFFFAOYSA-N
MW184.31 g/mol
LogP2.22
Rot. Bonds5

About 2-(butylaminomethyl)thiophen-3-amine

2-(butylaminomethyl)thiophen-3-amine (PubChem CID 66387092) has the molecular formula C9H16N2S and a molecular weight of 184.31 g/mol. Its IUPAC name is 2-(butylaminomethyl)thiophen-3-amine.

Molecular Properties

Compound Name2-(butylaminomethyl)thiophen-3-amine
PubChem CID66387092
Molecular FormulaC9H16N2S
Molecular Weight184.31 g/mol
Exact Mass184.10
IUPAC Name2-(butylaminomethyl)thiophen-3-amine
SMILESCCCCNCc1sccc1N
InChIInChI=1S/C9H16N2S/c1-2-3-5-11-7-9-8(10)4-6-12-9/h4,6,11H,2-3,5,7,10H2,1H3
InChIKeyFFLCJNHRAANHAK-UHFFFAOYSA-N
XLogP2.22
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 52.22
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-(butylaminomethyl)thiophen-3-amine?
The IUPAC name of 2-(butylaminomethyl)thiophen-3-amine (CID 66387092) is 2-(butylaminomethyl)thiophen-3-amine.
What is the SMILES notation for 2-(butylaminomethyl)thiophen-3-amine?
The canonical SMILES for 2-(butylaminomethyl)thiophen-3-amine is CCCCNCc1sccc1N.
What is the InChIKey of 2-(butylaminomethyl)thiophen-3-amine?
The InChIKey is FFLCJNHRAANHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2S/c1-2-3-5-11-7-9-8(10)4-6-12-9/h4,6,11H,2-3,5,7,10H2,1H3.
What are the key properties of 2-(butylaminomethyl)thiophen-3-amine?
2-(butylaminomethyl)thiophen-3-amine has a molecular weight of 184.31 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylaminomethyl)thiophen-3-amine is sourced from PubChem (CID 66387092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).