2-(5-heptyl-1,3,4-oxadiazol-2-yl)-N-methylethanamine

C12H23N3O — CID 62162723

IUPAC2-(5-heptyl-1,3,4-oxadiazol-2-yl)-N-methylethanamine
SMILESCCCCCCCc1nnc(CCNC)o1
InChIInChI=1S/C12H23N3O/c1-3-4-5-6-7-8-11-14-15-12(16-11)9-10-13-2/h13H,3-10H2,1-2H3
InChIKeyFUGINFKLVUOCKY-UHFFFAOYSA-N
MW225.34 g/mol
LogP2.34
Rot. Bonds9

About 2-(5-heptyl-1,3,4-oxadiazol-2-yl)-N-methylethanamine

2-(5-heptyl-1,3,4-oxadiazol-2-yl)-N-methylethanamine (PubChem CID 62162723) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-(5-heptyl-1,3,4-oxadiazol-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(5-heptyl-1,3,4-oxadiazol-2-yl)-N-methylethanamine
PubChem CID62162723
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name2-(5-heptyl-1,3,4-oxadiazol-2-yl)-N-methylethanamine
SMILESCCCCCCCc1nnc(CCNC)o1
InChIInChI=1S/C12H23N3O/c1-3-4-5-6-7-8-11-14-15-12(16-11)9-10-13-2/h13H,3-10H2,1-2H3
InChIKeyFUGINFKLVUOCKY-UHFFFAOYSA-N
XLogP2.34
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 52.34
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-[(5-heptyl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine
CID 62137386
(5-octyl-1,3,4-oxadiazol-2-yl)methanamine
CID 65428930
2-(2-chloroethyl)-5-nonyl-1,3,4-oxadiazole
CID 65448728
2-(3-bromopropyl)-5-tridecyl-1,3,4-oxadiazole
CID 86073528
2-(5-nonyl-1,3,4-oxadiazol-2-yl)ethanamine
CID 65426417
3-(5-pentyl-1,3,4-oxadiazol-2-yl)-N-propan-2-ylpropan-1-amine
CID 62138927
2-chloro-5-heptyl-1,3,4-oxadiazole
CID 114770895
N-[(5-nonyl-1,3,4-oxadiazol-2-yl)methyl]propan-2-amine
CID 65427375
N-methyl-2-[5-(3-methylbutyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 62164813
1-(5-heptyl-1,3,4-oxadiazol-2-yl)-N-methylpropan-1-amine
CID 62859102
N-[1-(5-heptyl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine
CID 62162889
1-(5-octyl-1,3,4-oxadiazol-2-yl)-N-propylpropan-1-amine
CID 65427378

Frequently Asked Questions

What is the IUPAC name of 2-(5-heptyl-1,3,4-oxadiazol-2-yl)-N-methylethanamine?
The IUPAC name of 2-(5-heptyl-1,3,4-oxadiazol-2-yl)-N-methylethanamine (CID 62162723) is 2-(5-heptyl-1,3,4-oxadiazol-2-yl)-N-methylethanamine.
What is the SMILES notation for 2-(5-heptyl-1,3,4-oxadiazol-2-yl)-N-methylethanamine?
The canonical SMILES for 2-(5-heptyl-1,3,4-oxadiazol-2-yl)-N-methylethanamine is CCCCCCCc1nnc(CCNC)o1.
What is the InChIKey of 2-(5-heptyl-1,3,4-oxadiazol-2-yl)-N-methylethanamine?
The InChIKey is FUGINFKLVUOCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-3-4-5-6-7-8-11-14-15-12(16-11)9-10-13-2/h13H,3-10H2,1-2H3.
What are the key properties of 2-(5-heptyl-1,3,4-oxadiazol-2-yl)-N-methylethanamine?
2-(5-heptyl-1,3,4-oxadiazol-2-yl)-N-methylethanamine has a molecular weight of 225.34 g/mol, XLogP of 2.34, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-heptyl-1,3,4-oxadiazol-2-yl)-N-methylethanamine is sourced from PubChem (CID 62162723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).