[1-(3-ethyl-1,4-dithian-2-yl)-4-methoxy-4-methylpentyl]hydrazine

C13H28N2OS2 — CID 103026998

IUPAC[1-(3-ethyl-1,4-dithian-2-yl)-4-methoxy-4-methylpentyl]hydrazine
SMILESCCC1SCCSC1C(CCC(C)(C)OC)NN
InChIInChI=1S/C13H28N2OS2/c1-5-11-12(18-9-8-17-11)10(15-14)6-7-13(2,3)16-4/h10-12,15H,5-9,14H2,1-4H3
InChIKeyLRVNFXSENGIVAL-UHFFFAOYSA-N
MW292.51 g/mol
LogP2.65
Rot. Bonds7

About [1-(3-ethyl-1,4-dithian-2-yl)-4-methoxy-4-methylpentyl]hydrazine

[1-(3-ethyl-1,4-dithian-2-yl)-4-methoxy-4-methylpentyl]hydrazine (PubChem CID 103026998) has the molecular formula C13H28N2OS2 and a molecular weight of 292.51 g/mol. Its IUPAC name is [1-(3-ethyl-1,4-dithian-2-yl)-4-methoxy-4-methylpentyl]hydrazine.

Molecular Properties

Compound Name[1-(3-ethyl-1,4-dithian-2-yl)-4-methoxy-4-methylpentyl]hydrazine
PubChem CID103026998
Molecular FormulaC13H28N2OS2
Molecular Weight292.51 g/mol
Exact Mass292.16
IUPAC Name[1-(3-ethyl-1,4-dithian-2-yl)-4-methoxy-4-methylpentyl]hydrazine
SMILESCCC1SCCSC1C(CCC(C)(C)OC)NN
InChIInChI=1S/C13H28N2OS2/c1-5-11-12(18-9-8-17-11)10(15-14)6-7-13(2,3)16-4/h10-12,15H,5-9,14H2,1-4H3
InChIKeyLRVNFXSENGIVAL-UHFFFAOYSA-N
XLogP2.65
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.51
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(3-ethyl-1,4-dithian-2-yl)-4-methoxy-4-methylpentyl]hydrazine?
The IUPAC name of [1-(3-ethyl-1,4-dithian-2-yl)-4-methoxy-4-methylpentyl]hydrazine (CID 103026998) is [1-(3-ethyl-1,4-dithian-2-yl)-4-methoxy-4-methylpentyl]hydrazine.
What is the SMILES notation for [1-(3-ethyl-1,4-dithian-2-yl)-4-methoxy-4-methylpentyl]hydrazine?
The canonical SMILES for [1-(3-ethyl-1,4-dithian-2-yl)-4-methoxy-4-methylpentyl]hydrazine is CCC1SCCSC1C(CCC(C)(C)OC)NN.
What is the InChIKey of [1-(3-ethyl-1,4-dithian-2-yl)-4-methoxy-4-methylpentyl]hydrazine?
The InChIKey is LRVNFXSENGIVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2OS2/c1-5-11-12(18-9-8-17-11)10(15-14)6-7-13(2,3)16-4/h10-12,15H,5-9,14H2,1-4H3.
What are the key properties of [1-(3-ethyl-1,4-dithian-2-yl)-4-methoxy-4-methylpentyl]hydrazine?
[1-(3-ethyl-1,4-dithian-2-yl)-4-methoxy-4-methylpentyl]hydrazine has a molecular weight of 292.51 g/mol, XLogP of 2.65, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-ethyl-1,4-dithian-2-yl)-4-methoxy-4-methylpentyl]hydrazine is sourced from PubChem (CID 103026998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).