3-[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]-N-ethyl-N-methylpentan-1-amine

C12H24N4O — CID 143265332

IUPAC3-[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]-N-ethyl-N-methylpentan-1-amine
SMILESCCC(CCN(C)CC)c1nnc([C@H](C)N)o1
InChIInChI=1S/C12H24N4O/c1-5-10(7-8-16(4)6-2)12-15-14-11(17-12)9(3)13/h9-10H,5-8,13H2,1-4H3/t9-,10?/m0/s1
InChIKeyGFMOFODPRNTSGS-RGURZIINSA-N
MW240.35 g/mol
LogP1.92
Rot. Bonds7

About 3-[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]-N-ethyl-N-methylpentan-1-amine

3-[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]-N-ethyl-N-methylpentan-1-amine (PubChem CID 143265332) has the molecular formula C12H24N4O and a molecular weight of 240.35 g/mol. Its IUPAC name is 3-[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]-N-ethyl-N-methylpentan-1-amine.

Molecular Properties

Compound Name3-[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]-N-ethyl-N-methylpentan-1-amine
PubChem CID143265332
Molecular FormulaC12H24N4O
Molecular Weight240.35 g/mol
Exact Mass240.20
IUPAC Name3-[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]-N-ethyl-N-methylpentan-1-amine
SMILESCCC(CCN(C)CC)c1nnc([C@H](C)N)o1
InChIInChI=1S/C12H24N4O/c1-5-10(7-8-16(4)6-2)12-15-14-11(17-12)9(3)13/h9-10H,5-8,13H2,1-4H3/t9-,10?/m0/s1
InChIKeyGFMOFODPRNTSGS-RGURZIINSA-N
XLogP1.92
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]-N-ethyl-N-methylpentan-1-amine?
The IUPAC name of 3-[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]-N-ethyl-N-methylpentan-1-amine (CID 143265332) is 3-[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]-N-ethyl-N-methylpentan-1-amine.
What is the SMILES notation for 3-[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]-N-ethyl-N-methylpentan-1-amine?
The canonical SMILES for 3-[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]-N-ethyl-N-methylpentan-1-amine is CCC(CCN(C)CC)c1nnc([C@H](C)N)o1.
What is the InChIKey of 3-[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]-N-ethyl-N-methylpentan-1-amine?
The InChIKey is GFMOFODPRNTSGS-RGURZIINSA-N. The full InChI is InChI=1S/C12H24N4O/c1-5-10(7-8-16(4)6-2)12-15-14-11(17-12)9(3)13/h9-10H,5-8,13H2,1-4H3/t9-,10?/m0/s1.
What are the key properties of 3-[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]-N-ethyl-N-methylpentan-1-amine?
3-[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]-N-ethyl-N-methylpentan-1-amine has a molecular weight of 240.35 g/mol, XLogP of 1.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl]-N-ethyl-N-methylpentan-1-amine is sourced from PubChem (CID 143265332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).