4,4-dimethyl-1-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine

C13H25N3O2 — CID 113496840

IUPAC4,4-dimethyl-1-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
SMILESCCCOCc1noc(CC(N)CC(C)(C)C)n1
InChIInChI=1S/C13H25N3O2/c1-5-6-17-9-11-15-12(18-16-11)7-10(14)8-13(2,3)4/h10H,5-9,14H2,1-4H3
InChIKeyFAEOEJSEBHMFFM-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.30
Rot. Bonds7

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

4,4-dimethyl-1-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine (PubChem CID 113496840) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 4,4-dimethyl-1-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine.

Molecular Properties

Compound Name4,4-dimethyl-1-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
PubChem CID113496840
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name4,4-dimethyl-1-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
SMILESCCCOCc1noc(CC(N)CC(C)(C)C)n1
InChIInChI=1S/C13H25N3O2/c1-5-6-17-9-11-15-12(18-16-11)7-10(14)8-13(2,3)4/h10H,5-9,14H2,1-4H3
InChIKeyFAEOEJSEBHMFFM-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
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

N-ethyl-3-methyl-1-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63350659
1-[3-(3,3-dimethylbutyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 114211184
1-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-4,4-dimethylpentan-2-amine
CID 116703950
2-methyl-2-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 115428076
3-(chloromethyl)-5-(propoxymethyl)-1,2,4-oxadiazole
CID 107939303
(1S)-3-methyl-1-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 104880958
1-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]pentan-2-one
CID 63345065
1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 63350324
cyclopropyl-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 62696516
1-methoxy-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 63350060
1-[5-(propoxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104880073
3-(propoxymethyl)-N-propyl-1,2,4-oxadiazol-5-amine
CID 62594300

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The IUPAC name of 4,4-dimethyl-1-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine (CID 113496840) is 4,4-dimethyl-1-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine.
What is the SMILES notation for 4,4-dimethyl-1-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The canonical SMILES for 4,4-dimethyl-1-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine is CCCOCc1noc(CC(N)CC(C)(C)C)n1.
What is the InChIKey of 4,4-dimethyl-1-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The InChIKey is FAEOEJSEBHMFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-5-6-17-9-11-15-12(18-16-11)7-10(14)8-13(2,3)4/h10H,5-9,14H2,1-4H3.
What are the key properties of 4,4-dimethyl-1-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
4,4-dimethyl-1-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine has a molecular weight of 255.36 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine is sourced from PubChem (CID 113496840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).