N-[(5-nonyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine

C14H27N3O — CID 65427563

IUPACN-[(5-nonyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
SMILESCCCCCCCCCc1nc(CNCC)no1
InChIInChI=1S/C14H27N3O/c1-3-5-6-7-8-9-10-11-14-16-13(17-18-14)12-15-4-2/h15H,3-12H2,1-2H3
InChIKeyCHSDXXGCMPEQLC-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.47
Rot. Bonds11

About N-[(5-nonyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine

N-[(5-nonyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine (PubChem CID 65427563) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is N-[(5-nonyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-nonyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
PubChem CID65427563
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC NameN-[(5-nonyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
SMILESCCCCCCCCCc1nc(CNCC)no1
InChIInChI=1S/C14H27N3O/c1-3-5-6-7-8-9-10-11-14-16-13(17-18-14)12-15-4-2/h15H,3-12H2,1-2H3
InChIKeyCHSDXXGCMPEQLC-UHFFFAOYSA-N
XLogP3.47
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.47
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

N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 60722213
3-(5-undecyl-1,2,4-oxadiazol-3-yl)propan-1-amine
CID 65428333
(2R)-2,4-dihydroxy-3,3-dimethyl-N-[(5-pentyl-1,2,4-oxadiazol-3-yl)methyl]butanamide
CID 164627062
3-iodo-5-octyl-1,2,4-oxadiazole
CID 112572300
2-(3-pentyl-1,2,4-oxadiazol-5-yl)acetic acid
CID 70237676
1-(5-octyl-1,2,4-oxadiazol-3-yl)ethanol
CID 102660835
5-heptyl-1,2,4-oxadiazole-3-carboxylic acid
CID 63448668
N-(5-undecyl-1,2,4-oxadiazol-3-yl)acetamide
CID 101166747
3-undecyl-1,2,4-oxadiazol-5-amine
CID 10900725
(3-butyl-1,2,4-oxadiazol-5-yl)methanol
CID 43558836
N-[[5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]methyl]ethanamine
CID 65159673
5-nonyl-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
CID 65428927

Frequently Asked Questions

What is the IUPAC name of N-[(5-nonyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine?
The IUPAC name of N-[(5-nonyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine (CID 65427563) is N-[(5-nonyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(5-nonyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(5-nonyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine is CCCCCCCCCc1nc(CNCC)no1.
What is the InChIKey of N-[(5-nonyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine?
The InChIKey is CHSDXXGCMPEQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-3-5-6-7-8-9-10-11-14-16-13(17-18-14)12-15-4-2/h15H,3-12H2,1-2H3.
What are the key properties of N-[(5-nonyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine?
N-[(5-nonyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine has a molecular weight of 253.39 g/mol, XLogP of 3.47, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-nonyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 65427563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).