11-(octyldisulfanyl)dodecan-1-amine

C20H43NS2 — CID 89196568

IUPAC11-(octyldisulfanyl)dodecan-1-amine
SMILESCCCCCCCCSSC(C)CCCCCCCCCCN
InChIInChI=1S/C20H43NS2/c1-3-4-5-6-13-16-19-22-23-20(2)17-14-11-9-7-8-10-12-15-18-21/h20H,3-19,21H2,1-2H3
InChIKeyPOULKXYAYUBYFG-UHFFFAOYSA-N
MW361.71 g/mol
LogP7.59
Rot. Bonds19

About 11-(octyldisulfanyl)dodecan-1-amine

11-(octyldisulfanyl)dodecan-1-amine (PubChem CID 89196568) has the molecular formula C20H43NS2 and a molecular weight of 361.71 g/mol. Its IUPAC name is 11-(octyldisulfanyl)dodecan-1-amine.

Molecular Properties

Compound Name11-(octyldisulfanyl)dodecan-1-amine
PubChem CID89196568
Molecular FormulaC20H43NS2
Molecular Weight361.71 g/mol
Exact Mass361.28
IUPAC Name11-(octyldisulfanyl)dodecan-1-amine
SMILESCCCCCCCCSSC(C)CCCCCCCCCCN
InChIInChI=1S/C20H43NS2/c1-3-4-5-6-13-16-19-22-23-20(2)17-14-11-9-7-8-10-12-15-18-21/h20H,3-19,21H2,1-2H3
InChIKeyPOULKXYAYUBYFG-UHFFFAOYSA-N
XLogP7.59
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.71
LogP ≤ 57.59
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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Related Compounds

2-(octan-2-yldisulfanyl)octane
CID 5120252
1-(propan-2-yldisulfanyl)hexane
CID 536197
dodecan-1-amine;dodecan-2-amine
CID 88815564
5,9-dimethyloctadecan-1-amine
CID 174923758
5-ethylsulfanylhexan-1-amine
CID 138478357
5-hexyldodecan-1-amine
CID 129015386
nonadecane-1,13-diamine
CID 102135569
11-decylsulfanylundecan-1-amine
CID 71359638
octadecane-1,5-diamine
CID 154229011
undecane-1,6-diamine
CID 18419788
9,10-dioctylhenicosan-1-amine
CID 123803716
hexadecan-1-amine;2-methylpropane;hydrochloride
CID 173319853

Frequently Asked Questions

What is the IUPAC name of 11-(octyldisulfanyl)dodecan-1-amine?
The IUPAC name of 11-(octyldisulfanyl)dodecan-1-amine (CID 89196568) is 11-(octyldisulfanyl)dodecan-1-amine.
What is the SMILES notation for 11-(octyldisulfanyl)dodecan-1-amine?
The canonical SMILES for 11-(octyldisulfanyl)dodecan-1-amine is CCCCCCCCSSC(C)CCCCCCCCCCN.
What is the InChIKey of 11-(octyldisulfanyl)dodecan-1-amine?
The InChIKey is POULKXYAYUBYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H43NS2/c1-3-4-5-6-13-16-19-22-23-20(2)17-14-11-9-7-8-10-12-15-18-21/h20H,3-19,21H2,1-2H3.
What are the key properties of 11-(octyldisulfanyl)dodecan-1-amine?
11-(octyldisulfanyl)dodecan-1-amine has a molecular weight of 361.71 g/mol, XLogP of 7.59, 19 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(octyldisulfanyl)dodecan-1-amine is sourced from PubChem (CID 89196568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).