N-(3-ethoxypropyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine

C10H20N4O2 — CID 106967947

IUPACN-(3-ethoxypropyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine
SMILESCCNCc1nnc(NCCCOCC)o1
InChIInChI=1S/C10H20N4O2/c1-3-11-8-9-13-14-10(16-9)12-6-5-7-15-4-2/h11H,3-8H2,1-2H3,(H,12,14)
InChIKeyCFOYYWWSVYRZRH-UHFFFAOYSA-N
MW228.30 g/mol
LogP1.02
Rot. Bonds9

About N-(3-ethoxypropyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine

N-(3-ethoxypropyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106967947) has the molecular formula C10H20N4O2 and a molecular weight of 228.30 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine
PubChem CID106967947
Molecular FormulaC10H20N4O2
Molecular Weight228.30 g/mol
Exact Mass228.16
IUPAC NameN-(3-ethoxypropyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine
SMILESCCNCc1nnc(NCCCOCC)o1
InChIInChI=1S/C10H20N4O2/c1-3-11-8-9-13-14-10(16-9)12-6-5-7-15-4-2/h11H,3-8H2,1-2H3,(H,12,14)
InChIKeyCFOYYWWSVYRZRH-UHFFFAOYSA-N
XLogP1.02
TPSA72.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-ethoxyethyl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106966006
5-(ethylaminomethyl)-N-(5-methylhexyl)-1,3,4-oxadiazol-2-amine
CID 106963651
5-[(propan-2-ylamino)methyl]-N-(3-propoxypropyl)-1,3,4-oxadiazol-2-amine
CID 106963665
5-(ethylaminomethyl)-N-(3-phenylpropyl)-1,3,4-oxadiazol-2-amine
CID 106969533
5-(2-chloroethyl)-N-(3-propoxypropyl)-1,3,4-oxadiazol-2-amine
CID 106958290
5-(ethylaminomethyl)-N-(2-methylbutyl)-1,3,4-oxadiazol-2-amine
CID 106960518
5-(ethylaminomethyl)-N-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106967437
5-(propylaminomethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-oxadiazol-2-amine
CID 106961582
N-(3-cyclopentylpropyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106015746
5-(chloromethyl)-N-(3-methoxypropyl)-1,3,4-oxadiazol-2-amine
CID 106956546
5-(ethylaminomethyl)-N-(2-ethylhexyl)-1,3,4-oxadiazol-2-amine
CID 107819593
2-[3-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]propoxy]ethanol
CID 106309920

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(3-ethoxypropyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine (CID 106967947) is N-(3-ethoxypropyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(3-ethoxypropyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(3-ethoxypropyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine is CCNCc1nnc(NCCCOCC)o1.
What is the InChIKey of N-(3-ethoxypropyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is CFOYYWWSVYRZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O2/c1-3-11-8-9-13-14-10(16-9)12-6-5-7-15-4-2/h11H,3-8H2,1-2H3,(H,12,14).
What are the key properties of N-(3-ethoxypropyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine?
N-(3-ethoxypropyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 228.30 g/mol, XLogP of 1.02, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106967947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).