3-(5-undecyl-1,2,4-oxadiazol-3-yl)propan-1-amine

C16H31N3O — CID 65428333

IUPAC3-(5-undecyl-1,2,4-oxadiazol-3-yl)propan-1-amine
SMILESCCCCCCCCCCCc1nc(CCCN)no1
InChIInChI=1S/C16H31N3O/c1-2-3-4-5-6-7-8-9-10-13-16-18-15(19-20-16)12-11-14-17/h2-14,17H2,1H3
InChIKeyWHTGYBSQPFTQRO-UHFFFAOYSA-N
MW281.44 g/mol
LogP4.03
Rot. Bonds13

About 3-(5-undecyl-1,2,4-oxadiazol-3-yl)propan-1-amine

3-(5-undecyl-1,2,4-oxadiazol-3-yl)propan-1-amine (PubChem CID 65428333) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 3-(5-undecyl-1,2,4-oxadiazol-3-yl)propan-1-amine.

Molecular Properties

Compound Name3-(5-undecyl-1,2,4-oxadiazol-3-yl)propan-1-amine
PubChem CID65428333
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name3-(5-undecyl-1,2,4-oxadiazol-3-yl)propan-1-amine
SMILESCCCCCCCCCCCc1nc(CCCN)no1
InChIInChI=1S/C16H31N3O/c1-2-3-4-5-6-7-8-9-10-13-16-18-15(19-20-16)12-11-14-17/h2-14,17H2,1H3
InChIKeyWHTGYBSQPFTQRO-UHFFFAOYSA-N
XLogP4.03
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 54.03
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-(3-butyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 79002327
5-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 65129672
[4-[2-(3-undecyl-1,2,4-oxadiazol-5-yl)ethyl]phenyl]methanamine
CID 67188414
N-[(5-nonyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 65427563
5-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 63890830
5-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 62694108
6-[3-(butan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine
CID 65137052
3-undecyl-1,2,4-oxadiazol-5-amine
CID 10900725
3-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 62667403
3-iodo-5-octyl-1,2,4-oxadiazole
CID 112572300
3-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 16767874
3-[2-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]-4-methylpentan-1-amine
CID 79405630

Frequently Asked Questions

What is the IUPAC name of 3-(5-undecyl-1,2,4-oxadiazol-3-yl)propan-1-amine?
The IUPAC name of 3-(5-undecyl-1,2,4-oxadiazol-3-yl)propan-1-amine (CID 65428333) is 3-(5-undecyl-1,2,4-oxadiazol-3-yl)propan-1-amine.
What is the SMILES notation for 3-(5-undecyl-1,2,4-oxadiazol-3-yl)propan-1-amine?
The canonical SMILES for 3-(5-undecyl-1,2,4-oxadiazol-3-yl)propan-1-amine is CCCCCCCCCCCc1nc(CCCN)no1.
What is the InChIKey of 3-(5-undecyl-1,2,4-oxadiazol-3-yl)propan-1-amine?
The InChIKey is WHTGYBSQPFTQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-2-3-4-5-6-7-8-9-10-13-16-18-15(19-20-16)12-11-14-17/h2-14,17H2,1H3.
What are the key properties of 3-(5-undecyl-1,2,4-oxadiazol-3-yl)propan-1-amine?
3-(5-undecyl-1,2,4-oxadiazol-3-yl)propan-1-amine has a molecular weight of 281.44 g/mol, XLogP of 4.03, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-undecyl-1,2,4-oxadiazol-3-yl)propan-1-amine is sourced from PubChem (CID 65428333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).