1-cyclopropyl-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine

C8H13N3O — CID 106393050

IUPAC1-cyclopropyl-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine
SMILESCC(NCc1ncon1)C1CC1
InChIInChI=1S/C8H13N3O/c1-6(7-2-3-7)9-4-8-10-5-12-11-8/h5-7,9H,2-4H2,1H3
InChIKeyIILFFXOABIKVJR-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.96
Rot. Bonds4

About 1-cyclopropyl-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine

1-cyclopropyl-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine (PubChem CID 106393050) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 1-cyclopropyl-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine
PubChem CID106393050
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name1-cyclopropyl-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine
SMILESCC(NCc1ncon1)C1CC1
InChIInChI=1S/C8H13N3O/c1-6(7-2-3-7)9-4-8-10-5-12-11-8/h5-7,9H,2-4H2,1H3
InChIKeyIILFFXOABIKVJR-UHFFFAOYSA-N
XLogP0.96
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 ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-methylpiperidin-4-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine
CID 106393094
2-(1,2,4-oxadiazol-3-ylmethylamino)propanoic acid
CID 43467351
N-(dicyclopropylmethyl)-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106395342
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-4-propan-2-ylcyclohexan-1-amine
CID 106396755
1-(5-methylthiophen-2-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine
CID 106392519
3-(1,2,4-oxadiazol-3-ylmethylamino)butanoic acid
CID 106399040
N-(1,2,4-oxadiazol-3-ylmethyl)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 106392553
N-(1,2,4-oxadiazol-3-ylmethyl)-1-phenylpropan-2-amine
CID 106392652
N-(1,2,4-oxadiazol-3-ylmethyl)-2-propan-2-yloxyethanamine
CID 106398904
N-(1,2,4-oxadiazol-3-ylmethyl)-1-propan-2-ylpyrrolidin-3-amine
CID 106392900
1-(2,5-dichlorothiophen-3-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine
CID 106393008
1-(2,6-difluorophenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine
CID 114182910

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine?
The IUPAC name of 1-cyclopropyl-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine (CID 106393050) is 1-cyclopropyl-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine.
What is the SMILES notation for 1-cyclopropyl-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine?
The canonical SMILES for 1-cyclopropyl-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine is CC(NCc1ncon1)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine?
The InChIKey is IILFFXOABIKVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-6(7-2-3-7)9-4-8-10-5-12-11-8/h5-7,9H,2-4H2,1H3.
What are the key properties of 1-cyclopropyl-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine?
1-cyclopropyl-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine has a molecular weight of 167.21 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine is sourced from PubChem (CID 106393050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).