[1-(5,6-dimethyl-1,4-dithian-2-yl)-4,4-dimethylpentyl]hydrazine

C13H28N2S2 — CID 103347183

IUPAC[1-(5,6-dimethyl-1,4-dithian-2-yl)-4,4-dimethylpentyl]hydrazine
SMILESCC1SCC(C(CCC(C)(C)C)NN)SC1C
InChIInChI=1S/C13H28N2S2/c1-9-10(2)17-12(8-16-9)11(15-14)6-7-13(3,4)5/h9-12,15H,6-8,14H2,1-5H3
InChIKeySJEIMSSYSQZQAX-UHFFFAOYSA-N
MW276.51 g/mol
LogP3.27
Rot. Bonds4

About [1-(5,6-dimethyl-1,4-dithian-2-yl)-4,4-dimethylpentyl]hydrazine

[1-(5,6-dimethyl-1,4-dithian-2-yl)-4,4-dimethylpentyl]hydrazine (PubChem CID 103347183) has the molecular formula C13H28N2S2 and a molecular weight of 276.51 g/mol. Its IUPAC name is [1-(5,6-dimethyl-1,4-dithian-2-yl)-4,4-dimethylpentyl]hydrazine.

Molecular Properties

Compound Name[1-(5,6-dimethyl-1,4-dithian-2-yl)-4,4-dimethylpentyl]hydrazine
PubChem CID103347183
Molecular FormulaC13H28N2S2
Molecular Weight276.51 g/mol
Exact Mass276.17
IUPAC Name[1-(5,6-dimethyl-1,4-dithian-2-yl)-4,4-dimethylpentyl]hydrazine
SMILESCC1SCC(C(CCC(C)(C)C)NN)SC1C
InChIInChI=1S/C13H28N2S2/c1-9-10(2)17-12(8-16-9)11(15-14)6-7-13(3,4)5/h9-12,15H,6-8,14H2,1-5H3
InChIKeySJEIMSSYSQZQAX-UHFFFAOYSA-N
XLogP3.27
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.51
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-(5,6-dimethyl-1,4-dithian-2-yl)-4,4-dimethylpentyl]hydrazine?
The IUPAC name of [1-(5,6-dimethyl-1,4-dithian-2-yl)-4,4-dimethylpentyl]hydrazine (CID 103347183) is [1-(5,6-dimethyl-1,4-dithian-2-yl)-4,4-dimethylpentyl]hydrazine.
What is the SMILES notation for [1-(5,6-dimethyl-1,4-dithian-2-yl)-4,4-dimethylpentyl]hydrazine?
The canonical SMILES for [1-(5,6-dimethyl-1,4-dithian-2-yl)-4,4-dimethylpentyl]hydrazine is CC1SCC(C(CCC(C)(C)C)NN)SC1C.
What is the InChIKey of [1-(5,6-dimethyl-1,4-dithian-2-yl)-4,4-dimethylpentyl]hydrazine?
The InChIKey is SJEIMSSYSQZQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2S2/c1-9-10(2)17-12(8-16-9)11(15-14)6-7-13(3,4)5/h9-12,15H,6-8,14H2,1-5H3.
What are the key properties of [1-(5,6-dimethyl-1,4-dithian-2-yl)-4,4-dimethylpentyl]hydrazine?
[1-(5,6-dimethyl-1,4-dithian-2-yl)-4,4-dimethylpentyl]hydrazine has a molecular weight of 276.51 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5,6-dimethyl-1,4-dithian-2-yl)-4,4-dimethylpentyl]hydrazine is sourced from PubChem (CID 103347183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).