N-[2-[2-(propylamino)ethyldisulfanyl]ethyl]propan-1-amine

C10H24N2S2 — CID 88637766

IUPACN-[2-[2-(propylamino)ethyldisulfanyl]ethyl]propan-1-amine
SMILESCCCNCCSSCCNCCC
InChIInChI=1S/C10H24N2S2/c1-3-5-11-7-9-13-14-10-8-12-6-4-2/h11-12H,3-10H2,1-2H3
InChIKeyXATJNYSDRCNQIN-UHFFFAOYSA-N
MW236.45 g/mol
LogP2.37
Rot. Bonds11

About N-[2-[2-(propylamino)ethyldisulfanyl]ethyl]propan-1-amine

N-[2-[2-(propylamino)ethyldisulfanyl]ethyl]propan-1-amine (PubChem CID 88637766) has the molecular formula C10H24N2S2 and a molecular weight of 236.45 g/mol. Its IUPAC name is N-[2-[2-(propylamino)ethyldisulfanyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-[2-(propylamino)ethyldisulfanyl]ethyl]propan-1-amine
PubChem CID88637766
Molecular FormulaC10H24N2S2
Molecular Weight236.45 g/mol
Exact Mass236.14
IUPAC NameN-[2-[2-(propylamino)ethyldisulfanyl]ethyl]propan-1-amine
SMILESCCCNCCSSCCNCCC
InChIInChI=1S/C10H24N2S2/c1-3-5-11-7-9-13-14-10-8-12-6-4-2/h11-12H,3-10H2,1-2H3
InChIKeyXATJNYSDRCNQIN-UHFFFAOYSA-N
XLogP2.37
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.45
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(propylamino)ethyldisulfanyl]ethyl]propan-1-amine?
The IUPAC name of N-[2-[2-(propylamino)ethyldisulfanyl]ethyl]propan-1-amine (CID 88637766) is N-[2-[2-(propylamino)ethyldisulfanyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-[2-(propylamino)ethyldisulfanyl]ethyl]propan-1-amine?
The canonical SMILES for N-[2-[2-(propylamino)ethyldisulfanyl]ethyl]propan-1-amine is CCCNCCSSCCNCCC.
What is the InChIKey of N-[2-[2-(propylamino)ethyldisulfanyl]ethyl]propan-1-amine?
The InChIKey is XATJNYSDRCNQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2S2/c1-3-5-11-7-9-13-14-10-8-12-6-4-2/h11-12H,3-10H2,1-2H3.
What are the key properties of N-[2-[2-(propylamino)ethyldisulfanyl]ethyl]propan-1-amine?
N-[2-[2-(propylamino)ethyldisulfanyl]ethyl]propan-1-amine has a molecular weight of 236.45 g/mol, XLogP of 2.37, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(propylamino)ethyldisulfanyl]ethyl]propan-1-amine is sourced from PubChem (CID 88637766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).