2-methyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]butan-1-amine

C11H21N3O — CID 115887438

IUPAC2-methyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]butan-1-amine
SMILESCCC(C)CNCCCc1nc(C)no1
InChIInChI=1S/C11H21N3O/c1-4-9(2)8-12-7-5-6-11-13-10(3)14-15-11/h9,12H,4-8H2,1-3H3
InChIKeyCHODZMLDSIUXML-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.95
Rot. Bonds7

About 2-methyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]butan-1-amine

2-methyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]butan-1-amine (PubChem CID 115887438) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-methyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]butan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]butan-1-amine
PubChem CID115887438
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name2-methyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]butan-1-amine
SMILESCCC(C)CNCCCc1nc(C)no1
InChIInChI=1S/C11H21N3O/c1-4-9(2)8-12-7-5-6-11-13-10(3)14-15-11/h9,12H,4-8H2,1-3H3
InChIKeyCHODZMLDSIUXML-UHFFFAOYSA-N
XLogP1.95
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]pentan-3-amine
CID 115889350
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol
CID 106416371
3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(thiophen-3-ylmethyl)propan-1-amine;hydrochloride
CID 115615759
2,2-diethoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine
CID 114186104
2,2-dimethoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine
CID 106414051
N'-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine
CID 106414532
1-(2-ethylbutyl)-2-methyl-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]guanidine;hydroiodide
CID 111891780
3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1H-pyrrol-3-ylmethyl)propan-1-amine
CID 115686192
N',N'-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propane-1,3-diamine
CID 106416784
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thiohydroxylamine
CID 155439756
2-methyl-1-(3-methylbutan-2-yl)-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]guanidine;hydroiodide
CID 111002396
2-methyl-1-(5-methylhexyl)-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]guanidine
CID 111579813

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]butan-1-amine?
The IUPAC name of 2-methyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]butan-1-amine (CID 115887438) is 2-methyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]butan-1-amine.
What is the SMILES notation for 2-methyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]butan-1-amine?
The canonical SMILES for 2-methyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]butan-1-amine is CCC(C)CNCCCc1nc(C)no1.
What is the InChIKey of 2-methyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]butan-1-amine?
The InChIKey is CHODZMLDSIUXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-4-9(2)8-12-7-5-6-11-13-10(3)14-15-11/h9,12H,4-8H2,1-3H3.
What are the key properties of 2-methyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]butan-1-amine?
2-methyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]butan-1-amine has a molecular weight of 211.31 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]butan-1-amine is sourced from PubChem (CID 115887438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).