10-(3H-dithiol-3-yl)decan-5-amine

C13H25NS2 — CID 175402210

IUPAC10-(3H-dithiol-3-yl)decan-5-amine
SMILESCCCCC(N)CCCCCC1C=CSS1
InChIInChI=1S/C13H25NS2/c1-2-3-7-12(14)8-5-4-6-9-13-10-11-15-16-13/h10-13H,2-9,14H2,1H3
InChIKeyPPPHYQZVBHUNFJ-UHFFFAOYSA-N
MW259.48 g/mol
LogP4.73
Rot. Bonds9

About 10-(3H-dithiol-3-yl)decan-5-amine

10-(3H-dithiol-3-yl)decan-5-amine (PubChem CID 175402210) has the molecular formula C13H25NS2 and a molecular weight of 259.48 g/mol. Its IUPAC name is 10-(3H-dithiol-3-yl)decan-5-amine.

Molecular Properties

Compound Name10-(3H-dithiol-3-yl)decan-5-amine
PubChem CID175402210
Molecular FormulaC13H25NS2
Molecular Weight259.48 g/mol
Exact Mass259.14
IUPAC Name10-(3H-dithiol-3-yl)decan-5-amine
SMILESCCCCC(N)CCCCCC1C=CSS1
InChIInChI=1S/C13H25NS2/c1-2-3-7-12(14)8-5-4-6-9-13-10-11-15-16-13/h10-13H,2-9,14H2,1H3
InChIKeyPPPHYQZVBHUNFJ-UHFFFAOYSA-N
XLogP4.73
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.48
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 10-(3H-dithiol-3-yl)decan-5-amine?
The IUPAC name of 10-(3H-dithiol-3-yl)decan-5-amine (CID 175402210) is 10-(3H-dithiol-3-yl)decan-5-amine.
What is the SMILES notation for 10-(3H-dithiol-3-yl)decan-5-amine?
The canonical SMILES for 10-(3H-dithiol-3-yl)decan-5-amine is CCCCC(N)CCCCCC1C=CSS1.
What is the InChIKey of 10-(3H-dithiol-3-yl)decan-5-amine?
The InChIKey is PPPHYQZVBHUNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NS2/c1-2-3-7-12(14)8-5-4-6-9-13-10-11-15-16-13/h10-13H,2-9,14H2,1H3.
What are the key properties of 10-(3H-dithiol-3-yl)decan-5-amine?
10-(3H-dithiol-3-yl)decan-5-amine has a molecular weight of 259.48 g/mol, XLogP of 4.73, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(3H-dithiol-3-yl)decan-5-amine is sourced from PubChem (CID 175402210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).