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

C12H23N3O — CID 115889350

IUPAC2-methyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]pentan-3-amine
SMILESCCC(NCCCc1nc(C)no1)C(C)C
InChIInChI=1S/C12H23N3O/c1-5-11(9(2)3)13-8-6-7-12-14-10(4)15-16-12/h9,11,13H,5-8H2,1-4H3
InChIKeyICRWDZQXSMIBEE-UHFFFAOYSA-N
MW225.34 g/mol
LogP2.33
Rot. Bonds7

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

2-methyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]pentan-3-amine (PubChem CID 115889350) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-methyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]pentan-3-amine.

Molecular Properties

Compound Name2-methyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]pentan-3-amine
PubChem CID115889350
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name2-methyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]pentan-3-amine
SMILESCCC(NCCCc1nc(C)no1)C(C)C
InChIInChI=1S/C12H23N3O/c1-5-11(9(2)3)13-8-6-7-12-14-10(4)15-16-12/h9,11,13H,5-8H2,1-4H3
InChIKeyICRWDZQXSMIBEE-UHFFFAOYSA-N
XLogP2.33
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 52.33
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]butan-1-amine
CID 115887438
3-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propylbutan-2-amine
CID 63347670
1-methoxy-3-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butan-2-amine
CID 115889167
2-methyl-1-(3-methylbutan-2-yl)-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]guanidine;hydroiodide
CID 111002396
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thiohydroxylamine
CID 155439756
1-(2-ethylbutyl)-2-methyl-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]guanidine;hydroiodide
CID 111891780
2-methyl-1-(5-methylhexyl)-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]guanidine
CID 111579813
3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pentanenitrile
CID 106417030
2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]propanoic acid
CID 106414068
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-phenylpropan-1-amine
CID 103901524
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol
CID 106416371
1-(5-ethylfuran-2-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine
CID 75515317

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]pentan-3-amine?
The IUPAC name of 2-methyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]pentan-3-amine (CID 115889350) is 2-methyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]pentan-3-amine.
What is the SMILES notation for 2-methyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]pentan-3-amine?
The canonical SMILES for 2-methyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]pentan-3-amine is CCC(NCCCc1nc(C)no1)C(C)C.
What is the InChIKey of 2-methyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]pentan-3-amine?
The InChIKey is ICRWDZQXSMIBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-5-11(9(2)3)13-8-6-7-12-14-10(4)15-16-12/h9,11,13H,5-8H2,1-4H3.
What are the key properties of 2-methyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]pentan-3-amine?
2-methyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]pentan-3-amine has a molecular weight of 225.34 g/mol, XLogP of 2.33, 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]pentan-3-amine is sourced from PubChem (CID 115889350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).