2-N-(3-ethylpentan-3-yl)-1,3,4-oxadiazole-2,5-diamine

C9H18N4O — CID 103437097

IUPAC2-N-(3-ethylpentan-3-yl)-1,3,4-oxadiazole-2,5-diamine
SMILESCCC(CC)(CC)Nc1nnc(N)o1
InChIInChI=1S/C9H18N4O/c1-4-9(5-2,6-3)11-8-13-12-7(10)14-8/h4-6H2,1-3H3,(H2,10,12)(H,11,13)
InChIKeyZFGZTEHBDSEIAZ-UHFFFAOYSA-N
MW198.27 g/mol
LogP2.03
Rot. Bonds5

About 2-N-(3-ethylpentan-3-yl)-1,3,4-oxadiazole-2,5-diamine

2-N-(3-ethylpentan-3-yl)-1,3,4-oxadiazole-2,5-diamine (PubChem CID 103437097) has the molecular formula C9H18N4O and a molecular weight of 198.27 g/mol. Its IUPAC name is 2-N-(3-ethylpentan-3-yl)-1,3,4-oxadiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-(3-ethylpentan-3-yl)-1,3,4-oxadiazole-2,5-diamine
PubChem CID103437097
Molecular FormulaC9H18N4O
Molecular Weight198.27 g/mol
Exact Mass198.15
IUPAC Name2-N-(3-ethylpentan-3-yl)-1,3,4-oxadiazole-2,5-diamine
SMILESCCC(CC)(CC)Nc1nnc(N)o1
InChIInChI=1S/C9H18N4O/c1-4-9(5-2,6-3)11-8-13-12-7(10)14-8/h4-6H2,1-3H3,(H2,10,12)(H,11,13)
InChIKeyZFGZTEHBDSEIAZ-UHFFFAOYSA-N
XLogP2.03
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(3-methylpentan-2-yl)-1,3,4-oxadiazole-2,5-diamine
CID 103436764
2-N-(1-methylcyclohexyl)-1,3,4-oxadiazole-2,5-diamine
CID 103436807
2-N-(2,4,4-trimethylpentan-2-yl)-1,3,4-oxadiazole-2,5-diamine
CID 103436899
2-N-(3-ethylpentan-2-yl)-1,3,4-oxadiazole-2,5-diamine
CID 103437016
2-N-methyl-2-N-(2-methylbutan-2-yl)-1,3,4-oxadiazole-2,5-diamine
CID 103437059
2-N-(1-methylcyclopentyl)-1,3,4-oxadiazole-2,5-diamine
CID 103437086
2-N-(1-methylcyclopropyl)-1,3,4-oxadiazole-2,5-diamine
CID 103437298
2-N-(2-methylpentan-2-yl)-1,3,4-oxadiazole-2,5-diamine
CID 103437304
2-N-(1-ethylcyclobutyl)-1,3,4-oxadiazole-2,5-diamine
CID 103437308
2-N-(1-methylcyclobutyl)-1,3,4-oxadiazole-2,5-diamine
CID 103437311
2-N-(2-ethylbutyl)-1,3,4-oxadiazole-2,5-diamine
CID 103437353
2-N-(2-cyclopropylpropan-2-yl)-1,3,4-oxadiazole-2,5-diamine
CID 105789683

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-ethylpentan-3-yl)-1,3,4-oxadiazole-2,5-diamine?
The IUPAC name of 2-N-(3-ethylpentan-3-yl)-1,3,4-oxadiazole-2,5-diamine (CID 103437097) is 2-N-(3-ethylpentan-3-yl)-1,3,4-oxadiazole-2,5-diamine.
What is the SMILES notation for 2-N-(3-ethylpentan-3-yl)-1,3,4-oxadiazole-2,5-diamine?
The canonical SMILES for 2-N-(3-ethylpentan-3-yl)-1,3,4-oxadiazole-2,5-diamine is CCC(CC)(CC)Nc1nnc(N)o1.
What is the InChIKey of 2-N-(3-ethylpentan-3-yl)-1,3,4-oxadiazole-2,5-diamine?
The InChIKey is ZFGZTEHBDSEIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O/c1-4-9(5-2,6-3)11-8-13-12-7(10)14-8/h4-6H2,1-3H3,(H2,10,12)(H,11,13).
What are the key properties of 2-N-(3-ethylpentan-3-yl)-1,3,4-oxadiazole-2,5-diamine?
2-N-(3-ethylpentan-3-yl)-1,3,4-oxadiazole-2,5-diamine has a molecular weight of 198.27 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-ethylpentan-3-yl)-1,3,4-oxadiazole-2,5-diamine is sourced from PubChem (CID 103437097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).