5-(2-aminoethyl)-N-[2-(3-methylbutoxy)ethyl]-1,3,4-oxadiazol-2-amine

C11H22N4O2 — CID 106959660

IUPAC5-(2-aminoethyl)-N-[2-(3-methylbutoxy)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCC(C)CCOCCNc1nnc(CCN)o1
InChIInChI=1S/C11H22N4O2/c1-9(2)4-7-16-8-6-13-11-15-14-10(17-11)3-5-12/h9H,3-8,12H2,1-2H3,(H,13,15)
InChIKeyLCTOBRRGLCNIMT-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.05
Rot. Bonds9

About 5-(2-aminoethyl)-N-[2-(3-methylbutoxy)ethyl]-1,3,4-oxadiazol-2-amine

5-(2-aminoethyl)-N-[2-(3-methylbutoxy)ethyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106959660) has the molecular formula C11H22N4O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 5-(2-aminoethyl)-N-[2-(3-methylbutoxy)ethyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(2-aminoethyl)-N-[2-(3-methylbutoxy)ethyl]-1,3,4-oxadiazol-2-amine
PubChem CID106959660
Molecular FormulaC11H22N4O2
Molecular Weight242.32 g/mol
Exact Mass242.17
IUPAC Name5-(2-aminoethyl)-N-[2-(3-methylbutoxy)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCC(C)CCOCCNc1nnc(CCN)o1
InChIInChI=1S/C11H22N4O2/c1-9(2)4-7-16-8-6-13-11-15-14-10(17-11)3-5-12/h9H,3-8,12H2,1-2H3,(H,13,15)
InChIKeyLCTOBRRGLCNIMT-UHFFFAOYSA-N
XLogP1.05
TPSA86.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.05
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

5-(2-aminoethyl)-N-pentan-2-yl-1,3,4-oxadiazol-2-amine
CID 106966297
5-(2-aminoethyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106425031
5-(2-aminoethyl)-N-hexan-3-yl-1,3,4-oxadiazol-2-amine
CID 106960441
2-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]-N-ethylethanesulfonamide
CID 114176109
5-(2-aminoethyl)-N-(2-ethylhexyl)-1,3,4-oxadiazol-2-amine
CID 107819587
5-(2-aminoethyl)-N-[(4-ethylcyclohexyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106959682
5-(chloromethyl)-N-(5-methylhexyl)-1,3,4-oxadiazol-2-amine
CID 106958282
5-(2-aminoethyl)-N-(1-cyclobutylethyl)-1,3,4-oxadiazol-2-amine
CID 106965502
N-[2-(2-methoxyethoxy)ethyl]-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106970247
5-(2-chloroethyl)-N-(3-propoxypropyl)-1,3,4-oxadiazol-2-amine
CID 106958290
5-(2-aminoethyl)-N-(2,2,3,3-tetrafluoropropyl)-1,3,4-oxadiazol-2-amine
CID 106296571
5-(2-aminoethyl)-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106961342

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-N-[2-(3-methylbutoxy)ethyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(2-aminoethyl)-N-[2-(3-methylbutoxy)ethyl]-1,3,4-oxadiazol-2-amine (CID 106959660) is 5-(2-aminoethyl)-N-[2-(3-methylbutoxy)ethyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(2-aminoethyl)-N-[2-(3-methylbutoxy)ethyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(2-aminoethyl)-N-[2-(3-methylbutoxy)ethyl]-1,3,4-oxadiazol-2-amine is CC(C)CCOCCNc1nnc(CCN)o1.
What is the InChIKey of 5-(2-aminoethyl)-N-[2-(3-methylbutoxy)ethyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is LCTOBRRGLCNIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2/c1-9(2)4-7-16-8-6-13-11-15-14-10(17-11)3-5-12/h9H,3-8,12H2,1-2H3,(H,13,15).
What are the key properties of 5-(2-aminoethyl)-N-[2-(3-methylbutoxy)ethyl]-1,3,4-oxadiazol-2-amine?
5-(2-aminoethyl)-N-[2-(3-methylbutoxy)ethyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 242.32 g/mol, XLogP of 1.05, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-N-[2-(3-methylbutoxy)ethyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106959660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).