8-[5-(4-aminobutyl)thiophen-2-yl]octan-1-amine

C16H30N2S — CID 10469005

IUPAC8-[5-(4-aminobutyl)thiophen-2-yl]octan-1-amine
SMILESNCCCCCCCCc1ccc(CCCCN)s1
InChIInChI=1S/C16H30N2S/c17-13-7-4-2-1-3-5-9-15-11-12-16(19-15)10-6-8-14-18/h11-12H,1-10,13-14,17-18H2
InChIKeyPSYVYGLWUVDAGZ-UHFFFAOYSA-N
MW282.50 g/mol
LogP3.87
Rot. Bonds12

About 8-[5-(4-aminobutyl)thiophen-2-yl]octan-1-amine

8-[5-(4-aminobutyl)thiophen-2-yl]octan-1-amine (PubChem CID 10469005) has the molecular formula C16H30N2S and a molecular weight of 282.50 g/mol. Its IUPAC name is 8-[5-(4-aminobutyl)thiophen-2-yl]octan-1-amine.

Molecular Properties

Compound Name8-[5-(4-aminobutyl)thiophen-2-yl]octan-1-amine
PubChem CID10469005
Molecular FormulaC16H30N2S
Molecular Weight282.50 g/mol
Exact Mass282.21
IUPAC Name8-[5-(4-aminobutyl)thiophen-2-yl]octan-1-amine
SMILESNCCCCCCCCc1ccc(CCCCN)s1
InChIInChI=1S/C16H30N2S/c17-13-7-4-2-1-3-5-9-15-11-12-16(19-15)10-6-8-14-18/h11-12H,1-10,13-14,17-18H2
InChIKeyPSYVYGLWUVDAGZ-UHFFFAOYSA-N
XLogP3.87
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 53.87
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 8-[5-(4-aminobutyl)thiophen-2-yl]octan-1-amine?
The IUPAC name of 8-[5-(4-aminobutyl)thiophen-2-yl]octan-1-amine (CID 10469005) is 8-[5-(4-aminobutyl)thiophen-2-yl]octan-1-amine.
What is the SMILES notation for 8-[5-(4-aminobutyl)thiophen-2-yl]octan-1-amine?
The canonical SMILES for 8-[5-(4-aminobutyl)thiophen-2-yl]octan-1-amine is NCCCCCCCCc1ccc(CCCCN)s1.
What is the InChIKey of 8-[5-(4-aminobutyl)thiophen-2-yl]octan-1-amine?
The InChIKey is PSYVYGLWUVDAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2S/c17-13-7-4-2-1-3-5-9-15-11-12-16(19-15)10-6-8-14-18/h11-12H,1-10,13-14,17-18H2.
What are the key properties of 8-[5-(4-aminobutyl)thiophen-2-yl]octan-1-amine?
8-[5-(4-aminobutyl)thiophen-2-yl]octan-1-amine has a molecular weight of 282.50 g/mol, XLogP of 3.87, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5-(4-aminobutyl)thiophen-2-yl]octan-1-amine is sourced from PubChem (CID 10469005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).