(5-octyl-1,3,4-oxadiazol-2-yl)methanamine

C11H21N3O — CID 65428930

IUPAC(5-octyl-1,3,4-oxadiazol-2-yl)methanamine
SMILESCCCCCCCCc1nnc(CN)o1
InChIInChI=1S/C11H21N3O/c1-2-3-4-5-6-7-8-10-13-14-11(9-12)15-10/h2-9,12H2,1H3
InChIKeyYAALPGDWFGNHRP-UHFFFAOYSA-N
MW211.31 g/mol
LogP2.43
Rot. Bonds8

About (5-octyl-1,3,4-oxadiazol-2-yl)methanamine

(5-octyl-1,3,4-oxadiazol-2-yl)methanamine (PubChem CID 65428930) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is (5-octyl-1,3,4-oxadiazol-2-yl)methanamine.

Molecular Properties

Compound Name(5-octyl-1,3,4-oxadiazol-2-yl)methanamine
PubChem CID65428930
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name(5-octyl-1,3,4-oxadiazol-2-yl)methanamine
SMILESCCCCCCCCc1nnc(CN)o1
InChIInChI=1S/C11H21N3O/c1-2-3-4-5-6-7-8-10-13-14-11(9-12)15-10/h2-9,12H2,1H3
InChIKeyYAALPGDWFGNHRP-UHFFFAOYSA-N
XLogP2.43
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 52.43
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-(5-nonyl-1,3,4-oxadiazol-2-yl)ethanamine
CID 65426417
2-(3-bromopropyl)-5-tridecyl-1,3,4-oxadiazole
CID 86073528
2-(2-chloroethyl)-5-nonyl-1,3,4-oxadiazole
CID 65448728
2-chloro-5-heptyl-1,3,4-oxadiazole
CID 114770895
2-(5-heptyl-1,3,4-oxadiazol-2-yl)-N-methylethanamine
CID 62162723
N-[(5-heptyl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine
CID 62137386
N-[(5-nonyl-1,3,4-oxadiazol-2-yl)methyl]propan-2-amine
CID 65427375
ethyl 5-octyl-1,3,4-oxadiazole-2-carboxylate
CID 112619344
ethyl 5-undecyl-1,3,4-oxadiazole-2-carboxylate
CID 115960778
2-(1-chloroethyl)-5-octyl-1,3,4-oxadiazole
CID 65448540
3-(5-pentyl-1,3,4-oxadiazol-2-yl)-N-propan-2-ylpropan-1-amine
CID 62138927
2-(4-methylphenyl)-5-nonyl-1,3,4-oxadiazole
CID 102384865

Frequently Asked Questions

What is the IUPAC name of (5-octyl-1,3,4-oxadiazol-2-yl)methanamine?
The IUPAC name of (5-octyl-1,3,4-oxadiazol-2-yl)methanamine (CID 65428930) is (5-octyl-1,3,4-oxadiazol-2-yl)methanamine.
What is the SMILES notation for (5-octyl-1,3,4-oxadiazol-2-yl)methanamine?
The canonical SMILES for (5-octyl-1,3,4-oxadiazol-2-yl)methanamine is CCCCCCCCc1nnc(CN)o1.
What is the InChIKey of (5-octyl-1,3,4-oxadiazol-2-yl)methanamine?
The InChIKey is YAALPGDWFGNHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-2-3-4-5-6-7-8-10-13-14-11(9-12)15-10/h2-9,12H2,1H3.
What are the key properties of (5-octyl-1,3,4-oxadiazol-2-yl)methanamine?
(5-octyl-1,3,4-oxadiazol-2-yl)methanamine has a molecular weight of 211.31 g/mol, XLogP of 2.43, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-octyl-1,3,4-oxadiazol-2-yl)methanamine is sourced from PubChem (CID 65428930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).