[3-methyl-1-(1,4-oxathian-2-yl)butyl]hydrazine

C9H20N2OS — CID 105249480

IUPAC[3-methyl-1-(1,4-oxathian-2-yl)butyl]hydrazine
SMILESCC(C)CC(NN)C1CSCCO1
InChIInChI=1S/C9H20N2OS/c1-7(2)5-8(11-10)9-6-13-4-3-12-9/h7-9,11H,3-6,10H2,1-2H3
InChIKeySZECYRUYRDPKBG-UHFFFAOYSA-N
MW204.34 g/mol
LogP1.00
Rot. Bonds4

About [3-methyl-1-(1,4-oxathian-2-yl)butyl]hydrazine

[3-methyl-1-(1,4-oxathian-2-yl)butyl]hydrazine (PubChem CID 105249480) has the molecular formula C9H20N2OS and a molecular weight of 204.34 g/mol. Its IUPAC name is [3-methyl-1-(1,4-oxathian-2-yl)butyl]hydrazine.

Molecular Properties

Compound Name[3-methyl-1-(1,4-oxathian-2-yl)butyl]hydrazine
PubChem CID105249480
Molecular FormulaC9H20N2OS
Molecular Weight204.34 g/mol
Exact Mass204.13
IUPAC Name[3-methyl-1-(1,4-oxathian-2-yl)butyl]hydrazine
SMILESCC(C)CC(NN)C1CSCCO1
InChIInChI=1S/C9H20N2OS/c1-7(2)5-8(11-10)9-6-13-4-3-12-9/h7-9,11H,3-6,10H2,1-2H3
InChIKeySZECYRUYRDPKBG-UHFFFAOYSA-N
XLogP1.00
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.34
LogP ≤ 51.00
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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Related Compounds

[3-methyl-1-(1,4-oxathian-2-yl)pentyl]hydrazine
CID 105249722
1-(1,4-oxathian-2-yl)propylhydrazine
CID 105249656
1-(1,4-oxathian-2-yl)heptylhydrazine
CID 105249713
[2-cyclohexyl-1-(1,4-oxathian-2-yl)ethyl]hydrazine
CID 105249582
[3-methylidene-1-(1,4-oxathian-2-yl)pentyl]hydrazine
CID 105249763
1-(1,4-oxathian-2-yl)pent-4-enylhydrazine
CID 105249626
4-methyl-1-(1,4-oxathian-2-yl)-N-propylpentan-1-amine
CID 79962761
[1-(1,4-oxathian-2-yl)-2-phenylethyl]hydrazine
CID 105249482
(1R)-1-(1,4-oxathian-2-yl)ethanamine
CID 104932096
[1-(1,4-oxathian-2-yl)-2-thiophen-2-ylethyl]hydrazine
CID 105249760
[3-methyl-1-(4-methylmorpholin-2-yl)butyl]hydrazine
CID 105244260
[2-(4-bromothiophen-2-yl)-1-(1,4-oxathian-2-yl)ethyl]hydrazine
CID 105249744

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-(1,4-oxathian-2-yl)butyl]hydrazine?
The IUPAC name of [3-methyl-1-(1,4-oxathian-2-yl)butyl]hydrazine (CID 105249480) is [3-methyl-1-(1,4-oxathian-2-yl)butyl]hydrazine.
What is the SMILES notation for [3-methyl-1-(1,4-oxathian-2-yl)butyl]hydrazine?
The canonical SMILES for [3-methyl-1-(1,4-oxathian-2-yl)butyl]hydrazine is CC(C)CC(NN)C1CSCCO1.
What is the InChIKey of [3-methyl-1-(1,4-oxathian-2-yl)butyl]hydrazine?
The InChIKey is SZECYRUYRDPKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2OS/c1-7(2)5-8(11-10)9-6-13-4-3-12-9/h7-9,11H,3-6,10H2,1-2H3.
What are the key properties of [3-methyl-1-(1,4-oxathian-2-yl)butyl]hydrazine?
[3-methyl-1-(1,4-oxathian-2-yl)butyl]hydrazine has a molecular weight of 204.34 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-(1,4-oxathian-2-yl)butyl]hydrazine is sourced from PubChem (CID 105249480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).