N-butyl-2-ethylthiophen-3-amine

C10H17NS — CID 57061368

IUPACN-butyl-2-ethylthiophen-3-amine
SMILESCCCCNc1ccsc1CC
InChIInChI=1S/C10H17NS/c1-3-5-7-11-9-6-8-12-10(9)4-2/h6,8,11H,3-5,7H2,1-2H3
InChIKeyAJLYSDLPAMATHK-UHFFFAOYSA-N
MW183.32 g/mol
LogP3.52
Rot. Bonds5

About N-butyl-2-ethylthiophen-3-amine

N-butyl-2-ethylthiophen-3-amine (PubChem CID 57061368) has the molecular formula C10H17NS and a molecular weight of 183.32 g/mol. Its IUPAC name is N-butyl-2-ethylthiophen-3-amine.

Molecular Properties

Compound NameN-butyl-2-ethylthiophen-3-amine
PubChem CID57061368
Molecular FormulaC10H17NS
Molecular Weight183.32 g/mol
Exact Mass183.11
IUPAC NameN-butyl-2-ethylthiophen-3-amine
SMILESCCCCNc1ccsc1CC
InChIInChI=1S/C10H17NS/c1-3-5-7-11-9-6-8-12-10(9)4-2/h6,8,11H,3-5,7H2,1-2H3
InChIKeyAJLYSDLPAMATHK-UHFFFAOYSA-N
XLogP3.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.32
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N-butyl-2-ethylthiophen-3-amine?
The IUPAC name of N-butyl-2-ethylthiophen-3-amine (CID 57061368) is N-butyl-2-ethylthiophen-3-amine.
What is the SMILES notation for N-butyl-2-ethylthiophen-3-amine?
The canonical SMILES for N-butyl-2-ethylthiophen-3-amine is CCCCNc1ccsc1CC.
What is the InChIKey of N-butyl-2-ethylthiophen-3-amine?
The InChIKey is AJLYSDLPAMATHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NS/c1-3-5-7-11-9-6-8-12-10(9)4-2/h6,8,11H,3-5,7H2,1-2H3.
What are the key properties of N-butyl-2-ethylthiophen-3-amine?
N-butyl-2-ethylthiophen-3-amine has a molecular weight of 183.32 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-ethylthiophen-3-amine is sourced from PubChem (CID 57061368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).