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

C8H13N3O — CID 62137918

IUPACN-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
SMILESCCNCc1nnc(C2CC2)o1
InChIInChI=1S/C8H13N3O/c1-2-9-5-7-10-11-8(12-7)6-3-4-6/h6,9H,2-5H2,1H3
InChIKeyFSYYEEPSKXTLPU-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.06
Rot. Bonds4

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

N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine (PubChem CID 62137918) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
PubChem CID62137918
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC NameN-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
SMILESCCNCc1nnc(C2CC2)o1
InChIInChI=1S/C8H13N3O/c1-2-9-5-7-10-11-8(12-7)6-3-4-6/h6,9H,2-5H2,1H3
InChIKeyFSYYEEPSKXTLPU-UHFFFAOYSA-N
XLogP1.06
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine?
The IUPAC name of N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine (CID 62137918) is N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine is CCNCc1nnc(C2CC2)o1.
What is the InChIKey of N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine?
The InChIKey is FSYYEEPSKXTLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-2-9-5-7-10-11-8(12-7)6-3-4-6/h6,9H,2-5H2,1H3.
What are the key properties of N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine?
N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine has a molecular weight of 167.21 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 62137918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).