2,2-dimethyl-1-[5-(2-propoxyethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine

C12H23N3O2 — CID 62715829

IUPAC2,2-dimethyl-1-[5-(2-propoxyethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
SMILESCCCOCCc1nc(C(N)C(C)(C)C)no1
InChIInChI=1S/C12H23N3O2/c1-5-7-16-8-6-9-14-11(15-17-9)10(13)12(2,3)4/h10H,5-8,13H2,1-4H3
InChIKeyBMEDIUAPJDMGSI-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.08
Rot. Bonds6

About 2,2-dimethyl-1-[5-(2-propoxyethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine

2,2-dimethyl-1-[5-(2-propoxyethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine (PubChem CID 62715829) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2,2-dimethyl-1-[5-(2-propoxyethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-1-[5-(2-propoxyethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
PubChem CID62715829
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name2,2-dimethyl-1-[5-(2-propoxyethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
SMILESCCCOCCc1nc(C(N)C(C)(C)C)no1
InChIInChI=1S/C12H23N3O2/c1-5-7-16-8-6-9-14-11(15-17-9)10(13)12(2,3)4/h10H,5-8,13H2,1-4H3
InChIKeyBMEDIUAPJDMGSI-UHFFFAOYSA-N
XLogP2.08
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.08
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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Related Compounds

1-[5-(3,3-dimethylbutyl)-1,2,4-oxadiazol-3-yl]-2-propoxyethanamine
CID 114212437
2,2-dimethyl-1-[5-(2-methylbutyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 114876392
1-[5-[2-(4-methoxyphenyl)ethyl]-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine
CID 61324231
2-ethoxy-1-[5-(2-ethoxyethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104633999
1-[5-(propoxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104880073
[5-(2-propoxyethyl)-1,2,4-oxadiazol-3-yl]methanol
CID 102660354
2,2-dimethyl-1-[5-(3-thiophen-2-ylpropyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 61323618
1-[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]-2-propoxyethanamine
CID 113435486
1-[5-(2-ethoxyethyl)-1,2,4-oxadiazol-3-yl]-N',N'-diethylethane-1,2-diamine
CID 113435584
2,2-dimethyl-1-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 61323826
3-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 116704096
1-(5-benzyl-1,2,4-oxadiazol-3-yl)-2,2-dimethylpropan-1-amine
CID 61323629

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[5-(2-propoxyethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The IUPAC name of 2,2-dimethyl-1-[5-(2-propoxyethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine (CID 62715829) is 2,2-dimethyl-1-[5-(2-propoxyethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine.
What is the SMILES notation for 2,2-dimethyl-1-[5-(2-propoxyethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The canonical SMILES for 2,2-dimethyl-1-[5-(2-propoxyethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine is CCCOCCc1nc(C(N)C(C)(C)C)no1.
What is the InChIKey of 2,2-dimethyl-1-[5-(2-propoxyethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The InChIKey is BMEDIUAPJDMGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-5-7-16-8-6-9-14-11(15-17-9)10(13)12(2,3)4/h10H,5-8,13H2,1-4H3.
What are the key properties of 2,2-dimethyl-1-[5-(2-propoxyethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
2,2-dimethyl-1-[5-(2-propoxyethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine has a molecular weight of 241.33 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[5-(2-propoxyethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine is sourced from PubChem (CID 62715829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).