N-(thiophen-3-ylmethyl)butan-1-amine

C9H15NS — CID 4723835

IUPACN-(thiophen-3-ylmethyl)butan-1-amine
SMILESCCCCNCc1ccsc1
InChIInChI=1S/C9H15NS/c1-2-3-5-10-7-9-4-6-11-8-9/h4,6,8,10H,2-3,5,7H2,1H3
InChIKeyULVKBQORUAAYML-UHFFFAOYSA-N
MW169.29 g/mol
LogP2.64
Rot. Bonds5

About N-(thiophen-3-ylmethyl)butan-1-amine

N-(thiophen-3-ylmethyl)butan-1-amine (PubChem CID 4723835) has the molecular formula C9H15NS and a molecular weight of 169.29 g/mol. Its IUPAC name is N-(thiophen-3-ylmethyl)butan-1-amine.

Molecular Properties

Compound NameN-(thiophen-3-ylmethyl)butan-1-amine
PubChem CID4723835
Molecular FormulaC9H15NS
Molecular Weight169.29 g/mol
Exact Mass169.09
IUPAC NameN-(thiophen-3-ylmethyl)butan-1-amine
SMILESCCCCNCc1ccsc1
InChIInChI=1S/C9H15NS/c1-2-3-5-10-7-9-4-6-11-8-9/h4,6,8,10H,2-3,5,7H2,1H3
InChIKeyULVKBQORUAAYML-UHFFFAOYSA-N
XLogP2.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.29
LogP ≤ 52.64
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-(thiophen-3-ylmethyl)butan-1-amine?
The IUPAC name of N-(thiophen-3-ylmethyl)butan-1-amine (CID 4723835) is N-(thiophen-3-ylmethyl)butan-1-amine.
What is the SMILES notation for N-(thiophen-3-ylmethyl)butan-1-amine?
The canonical SMILES for N-(thiophen-3-ylmethyl)butan-1-amine is CCCCNCc1ccsc1.
What is the InChIKey of N-(thiophen-3-ylmethyl)butan-1-amine?
The InChIKey is ULVKBQORUAAYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NS/c1-2-3-5-10-7-9-4-6-11-8-9/h4,6,8,10H,2-3,5,7H2,1H3.
What are the key properties of N-(thiophen-3-ylmethyl)butan-1-amine?
N-(thiophen-3-ylmethyl)butan-1-amine has a molecular weight of 169.29 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiophen-3-ylmethyl)butan-1-amine is sourced from PubChem (CID 4723835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).