2-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-4,4-dimethylpentan-1-amine

C13H25N3O2 — CID 107473689

IUPAC2-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-4,4-dimethylpentan-1-amine
SMILESCCOCCc1noc(C(CN)CC(C)(C)C)n1
InChIInChI=1S/C13H25N3O2/c1-5-17-7-6-11-15-12(18-16-11)10(9-14)8-13(2,3)4/h10H,5-9,14H2,1-4H3
InChIKeySWPAHDWSPNAMBQ-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.13
Rot. Bonds7

About 2-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-4,4-dimethylpentan-1-amine

2-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-4,4-dimethylpentan-1-amine (PubChem CID 107473689) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-4,4-dimethylpentan-1-amine.

Molecular Properties

Compound Name2-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-4,4-dimethylpentan-1-amine
PubChem CID107473689
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name2-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-4,4-dimethylpentan-1-amine
SMILESCCOCCc1noc(C(CN)CC(C)(C)C)n1
InChIInChI=1S/C13H25N3O2/c1-5-17-7-6-11-15-12(18-16-11)10(9-14)8-13(2,3)4/h10H,5-9,14H2,1-4H3
InChIKeySWPAHDWSPNAMBQ-UHFFFAOYSA-N
XLogP2.13
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-4,4-dimethylpentan-1-amine?
The IUPAC name of 2-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-4,4-dimethylpentan-1-amine (CID 107473689) is 2-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-4,4-dimethylpentan-1-amine.
What is the SMILES notation for 2-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-4,4-dimethylpentan-1-amine?
The canonical SMILES for 2-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-4,4-dimethylpentan-1-amine is CCOCCc1noc(C(CN)CC(C)(C)C)n1.
What is the InChIKey of 2-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-4,4-dimethylpentan-1-amine?
The InChIKey is SWPAHDWSPNAMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-5-17-7-6-11-15-12(18-16-11)10(9-14)8-13(2,3)4/h10H,5-9,14H2,1-4H3.
What are the key properties of 2-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-4,4-dimethylpentan-1-amine?
2-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-4,4-dimethylpentan-1-amine has a molecular weight of 255.36 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-4,4-dimethylpentan-1-amine is sourced from PubChem (CID 107473689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).