[1-(1,4-oxathian-2-yl)-2-(1-propylimidazol-2-yl)ethyl]hydrazine

C12H22N4OS — CID 105249781

IUPAC[1-(1,4-oxathian-2-yl)-2-(1-propylimidazol-2-yl)ethyl]hydrazine
SMILESCCCn1ccnc1CC(NN)C1CSCCO1
InChIInChI=1S/C12H22N4OS/c1-2-4-16-5-3-14-12(16)8-10(15-13)11-9-18-7-6-17-11/h3,5,10-11,15H,2,4,6-9,13H2,1H3
InChIKeyNSVAICHHWVHXCV-UHFFFAOYSA-N
MW270.40 g/mol
LogP0.80
Rot. Bonds6

About [1-(1,4-oxathian-2-yl)-2-(1-propylimidazol-2-yl)ethyl]hydrazine

[1-(1,4-oxathian-2-yl)-2-(1-propylimidazol-2-yl)ethyl]hydrazine (PubChem CID 105249781) has the molecular formula C12H22N4OS and a molecular weight of 270.40 g/mol. Its IUPAC name is [1-(1,4-oxathian-2-yl)-2-(1-propylimidazol-2-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(1,4-oxathian-2-yl)-2-(1-propylimidazol-2-yl)ethyl]hydrazine
PubChem CID105249781
Molecular FormulaC12H22N4OS
Molecular Weight270.40 g/mol
Exact Mass270.15
IUPAC Name[1-(1,4-oxathian-2-yl)-2-(1-propylimidazol-2-yl)ethyl]hydrazine
SMILESCCCn1ccnc1CC(NN)C1CSCCO1
InChIInChI=1S/C12H22N4OS/c1-2-4-16-5-3-14-12(16)8-10(15-13)11-9-18-7-6-17-11/h3,5,10-11,15H,2,4,6-9,13H2,1H3
InChIKeyNSVAICHHWVHXCV-UHFFFAOYSA-N
XLogP0.80
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

N-methyl-1-(1,4-oxathian-2-yl)-2-(1-propylimidazol-2-yl)ethanamine
CID 79963843
N-[1,4-oxathian-2-yl-(1-propylimidazol-2-yl)methyl]ethanamine
CID 79962860
N-methyl-1-(oxolan-2-yl)-2-(1-propylimidazol-2-yl)ethanamine
CID 79761761
1-(1,4-dioxan-2-yl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
CID 115824351
1-(1,4-dithian-2-yl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
CID 79965965
[2-(1-methylbenzimidazol-2-yl)-1-(1,4-oxathian-2-yl)ethyl]hydrazine
CID 105249700
N-[1-(4-methylthiomorpholin-3-yl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine
CID 106445389
1-(1,4-oxathian-2-yl)propylhydrazine
CID 105249656
N-[1-(4-methylmorpholin-2-yl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine
CID 79752801
[1-(2,3-dihydro-1-benzofuran-3-yl)-2-(1-propylimidazol-2-yl)ethyl]hydrazine
CID 105262793
[2-(5-ethyl-2-pyridinyl)-1-(1,4-oxathian-2-yl)ethyl]hydrazine
CID 105249552
[1-(1,4-oxathian-2-yl)-2-thiophen-2-ylethyl]hydrazine
CID 105249760

Frequently Asked Questions

What is the IUPAC name of [1-(1,4-oxathian-2-yl)-2-(1-propylimidazol-2-yl)ethyl]hydrazine?
The IUPAC name of [1-(1,4-oxathian-2-yl)-2-(1-propylimidazol-2-yl)ethyl]hydrazine (CID 105249781) is [1-(1,4-oxathian-2-yl)-2-(1-propylimidazol-2-yl)ethyl]hydrazine.
What is the SMILES notation for [1-(1,4-oxathian-2-yl)-2-(1-propylimidazol-2-yl)ethyl]hydrazine?
The canonical SMILES for [1-(1,4-oxathian-2-yl)-2-(1-propylimidazol-2-yl)ethyl]hydrazine is CCCn1ccnc1CC(NN)C1CSCCO1.
What is the InChIKey of [1-(1,4-oxathian-2-yl)-2-(1-propylimidazol-2-yl)ethyl]hydrazine?
The InChIKey is NSVAICHHWVHXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4OS/c1-2-4-16-5-3-14-12(16)8-10(15-13)11-9-18-7-6-17-11/h3,5,10-11,15H,2,4,6-9,13H2,1H3.
What are the key properties of [1-(1,4-oxathian-2-yl)-2-(1-propylimidazol-2-yl)ethyl]hydrazine?
[1-(1,4-oxathian-2-yl)-2-(1-propylimidazol-2-yl)ethyl]hydrazine has a molecular weight of 270.40 g/mol, XLogP of 0.80, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,4-oxathian-2-yl)-2-(1-propylimidazol-2-yl)ethyl]hydrazine is sourced from PubChem (CID 105249781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).