1-(3-methyl-1,4-dithian-2-yl)octylhydrazine

C13H28N2S2 — CID 105259521

IUPAC1-(3-methyl-1,4-dithian-2-yl)octylhydrazine
SMILESCCCCCCCC(NN)C1SCCSC1C
InChIInChI=1S/C13H28N2S2/c1-3-4-5-6-7-8-12(15-14)13-11(2)16-9-10-17-13/h11-13,15H,3-10,14H2,1-2H3
InChIKeyDVQIYMTYHIFJMT-UHFFFAOYSA-N
MW276.51 g/mol
LogP3.42
Rot. Bonds8

About 1-(3-methyl-1,4-dithian-2-yl)octylhydrazine

1-(3-methyl-1,4-dithian-2-yl)octylhydrazine (PubChem CID 105259521) has the molecular formula C13H28N2S2 and a molecular weight of 276.51 g/mol. Its IUPAC name is 1-(3-methyl-1,4-dithian-2-yl)octylhydrazine.

Molecular Properties

Compound Name1-(3-methyl-1,4-dithian-2-yl)octylhydrazine
PubChem CID105259521
Molecular FormulaC13H28N2S2
Molecular Weight276.51 g/mol
Exact Mass276.17
IUPAC Name1-(3-methyl-1,4-dithian-2-yl)octylhydrazine
SMILESCCCCCCCC(NN)C1SCCSC1C
InChIInChI=1S/C13H28N2S2/c1-3-4-5-6-7-8-12(15-14)13-11(2)16-9-10-17-13/h11-13,15H,3-10,14H2,1-2H3
InChIKeyDVQIYMTYHIFJMT-UHFFFAOYSA-N
XLogP3.42
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.51
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3-ethyl-1,4-dithian-2-yl)nonylhydrazine
CID 105259853
N-ethyl-1-(3-methyl-1,4-dithian-2-yl)hexan-1-amine
CID 115387051
[5,5,5-trifluoro-1-(3-methyl-1,4-dithian-2-yl)pentyl]hydrazine
CID 105259546
1-(thian-2-yl)nonylhydrazine
CID 105255737
1-(2-methylcyclopropyl)octylhydrazine
CID 105234832
1-(4-methylcyclohexyl)octylhydrazine
CID 105210539
1-(3-ethyl-1,4-dithian-2-yl)-N-methyloctan-1-amine
CID 115387777
1-(1,4-oxathian-2-yl)heptylhydrazine
CID 105249713
5,5,5-trifluoro-1-(3-methyl-1,4-dithian-2-yl)-N-propylpentan-1-amine
CID 115517593
1-(2,2-dimethylcyclopropyl)octylhydrazine
CID 107005603
1-cycloheptyldodecylhydrazine
CID 105330602
1-(3-ethyl-1,4-dithian-2-yl)-N-propylheptan-1-amine
CID 115388185

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1,4-dithian-2-yl)octylhydrazine?
The IUPAC name of 1-(3-methyl-1,4-dithian-2-yl)octylhydrazine (CID 105259521) is 1-(3-methyl-1,4-dithian-2-yl)octylhydrazine.
What is the SMILES notation for 1-(3-methyl-1,4-dithian-2-yl)octylhydrazine?
The canonical SMILES for 1-(3-methyl-1,4-dithian-2-yl)octylhydrazine is CCCCCCCC(NN)C1SCCSC1C.
What is the InChIKey of 1-(3-methyl-1,4-dithian-2-yl)octylhydrazine?
The InChIKey is DVQIYMTYHIFJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2S2/c1-3-4-5-6-7-8-12(15-14)13-11(2)16-9-10-17-13/h11-13,15H,3-10,14H2,1-2H3.
What are the key properties of 1-(3-methyl-1,4-dithian-2-yl)octylhydrazine?
1-(3-methyl-1,4-dithian-2-yl)octylhydrazine has a molecular weight of 276.51 g/mol, XLogP of 3.42, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1,4-dithian-2-yl)octylhydrazine is sourced from PubChem (CID 105259521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).