4-(4-aminobutylsulfanyl)butan-1-amine

C8H20N2S — CID 23422450

IUPAC4-(4-aminobutylsulfanyl)butan-1-amine
SMILESNCCCCSCCCCN
InChIInChI=1S/C8H20N2S/c9-5-1-3-7-11-8-4-2-6-10/h1-10H2
InChIKeyAGZDDXJNBAMIBQ-UHFFFAOYSA-N
MW176.33 g/mol
LogP1.20
Rot. Bonds8

About 4-(4-aminobutylsulfanyl)butan-1-amine

4-(4-aminobutylsulfanyl)butan-1-amine (PubChem CID 23422450) has the molecular formula C8H20N2S and a molecular weight of 176.33 g/mol. Its IUPAC name is 4-(4-aminobutylsulfanyl)butan-1-amine.

Molecular Properties

Compound Name4-(4-aminobutylsulfanyl)butan-1-amine
PubChem CID23422450
Molecular FormulaC8H20N2S
Molecular Weight176.33 g/mol
Exact Mass176.13
IUPAC Name4-(4-aminobutylsulfanyl)butan-1-amine
SMILESNCCCCSCCCCN
InChIInChI=1S/C8H20N2S/c9-5-1-3-7-11-8-4-2-6-10/h1-10H2
InChIKeyAGZDDXJNBAMIBQ-UHFFFAOYSA-N
XLogP1.20
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.33
LogP ≤ 51.20
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 4-(4-aminobutylsulfanyl)butan-1-amine?
The IUPAC name of 4-(4-aminobutylsulfanyl)butan-1-amine (CID 23422450) is 4-(4-aminobutylsulfanyl)butan-1-amine.
What is the SMILES notation for 4-(4-aminobutylsulfanyl)butan-1-amine?
The canonical SMILES for 4-(4-aminobutylsulfanyl)butan-1-amine is NCCCCSCCCCN.
What is the InChIKey of 4-(4-aminobutylsulfanyl)butan-1-amine?
The InChIKey is AGZDDXJNBAMIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2S/c9-5-1-3-7-11-8-4-2-6-10/h1-10H2.
What are the key properties of 4-(4-aminobutylsulfanyl)butan-1-amine?
4-(4-aminobutylsulfanyl)butan-1-amine has a molecular weight of 176.33 g/mol, XLogP of 1.20, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminobutylsulfanyl)butan-1-amine is sourced from PubChem (CID 23422450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).