6-[6-(dimethylamino)hexyltetrasulfanyl]-N,N-dimethylhexan-1-amine

C16H36N2S4 — CID 139749120

IUPAC6-[6-(dimethylamino)hexyltetrasulfanyl]-N,N-dimethylhexan-1-amine
SMILESCN(C)CCCCCCSSSSCCCCCCN(C)C
InChIInChI=1S/C16H36N2S4/c1-17(2)13-9-5-7-11-15-19-21-22-20-16-12-8-6-10-14-18(3)4/h5-16H2,1-4H3
InChIKeyPXOTXHHEGMFOQH-UHFFFAOYSA-N
MW384.75 g/mol
LogP5.91
Rot. Bonds17

About 6-[6-(dimethylamino)hexyltetrasulfanyl]-N,N-dimethylhexan-1-amine

6-[6-(dimethylamino)hexyltetrasulfanyl]-N,N-dimethylhexan-1-amine (PubChem CID 139749120) has the molecular formula C16H36N2S4 and a molecular weight of 384.75 g/mol. Its IUPAC name is 6-[6-(dimethylamino)hexyltetrasulfanyl]-N,N-dimethylhexan-1-amine.

Molecular Properties

Compound Name6-[6-(dimethylamino)hexyltetrasulfanyl]-N,N-dimethylhexan-1-amine
PubChem CID139749120
Molecular FormulaC16H36N2S4
Molecular Weight384.75 g/mol
Exact Mass384.18
IUPAC Name6-[6-(dimethylamino)hexyltetrasulfanyl]-N,N-dimethylhexan-1-amine
SMILESCN(C)CCCCCCSSSSCCCCCCN(C)C
InChIInChI=1S/C16H36N2S4/c1-17(2)13-9-5-7-11-15-19-21-22-20-16-12-8-6-10-14-18(3)4/h5-16H2,1-4H3
InChIKeyPXOTXHHEGMFOQH-UHFFFAOYSA-N
XLogP5.91
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.75
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

N,N,N',N'-tetramethylpentane-1,5-diamine;dihydrobromide
CID 173097999
N,N-dimethyl-4-methylsulfanylbutan-1-amine
CID 54463978
N,N,N',N'-tetramethylbutane-1,4-diamine;dihydrochloride
CID 20545505
1-(octadecylhexasulfanyl)octadecane
CID 54412885
N,N-dimethyl-4-(methylaminosulfanyl)butan-1-amine
CID 144560896
N,N-dimethylnonadecan-1-amine
CID 546994
N,N-dimethyloctan-1-amine
CID 161279104
iron(5+);N,N,N',N'-tetramethylhexane-1,6-diamine;pentacyanide
CID 88790797
3-[3-[3-[3-(dimethylamino)propoxy-diethoxysilyl]propyltetrasulfanyl]propyl-diethoxysilyl]oxy-N,N-dimethylpropan-1-amine
CID 87342465
N,N-dimethyldodecan-1-amine;hypobromous acid
CID 175692920
5-(dimethylamino)pentan-1-one;yttrium
CID 153365388
3-[2-[2-[3-(dimethylamino)propylsulfanyl]ethylsulfanyl]ethylsulfanyl]-N,N-dimethylpropan-1-amine
CID 21133537

Frequently Asked Questions

What is the IUPAC name of 6-[6-(dimethylamino)hexyltetrasulfanyl]-N,N-dimethylhexan-1-amine?
The IUPAC name of 6-[6-(dimethylamino)hexyltetrasulfanyl]-N,N-dimethylhexan-1-amine (CID 139749120) is 6-[6-(dimethylamino)hexyltetrasulfanyl]-N,N-dimethylhexan-1-amine.
What is the SMILES notation for 6-[6-(dimethylamino)hexyltetrasulfanyl]-N,N-dimethylhexan-1-amine?
The canonical SMILES for 6-[6-(dimethylamino)hexyltetrasulfanyl]-N,N-dimethylhexan-1-amine is CN(C)CCCCCCSSSSCCCCCCN(C)C.
What is the InChIKey of 6-[6-(dimethylamino)hexyltetrasulfanyl]-N,N-dimethylhexan-1-amine?
The InChIKey is PXOTXHHEGMFOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N2S4/c1-17(2)13-9-5-7-11-15-19-21-22-20-16-12-8-6-10-14-18(3)4/h5-16H2,1-4H3.
What are the key properties of 6-[6-(dimethylamino)hexyltetrasulfanyl]-N,N-dimethylhexan-1-amine?
6-[6-(dimethylamino)hexyltetrasulfanyl]-N,N-dimethylhexan-1-amine has a molecular weight of 384.75 g/mol, XLogP of 5.91, 17 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(dimethylamino)hexyltetrasulfanyl]-N,N-dimethylhexan-1-amine is sourced from PubChem (CID 139749120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).