N,N-diethyl-5-[3-(ethylamino)butan-2-yl]-1,2,4-oxadiazol-3-amine

C12H24N4O — CID 116809052

IUPACN,N-diethyl-5-[3-(ethylamino)butan-2-yl]-1,2,4-oxadiazol-3-amine
SMILESCCNC(C)C(C)c1nc(N(CC)CC)no1
InChIInChI=1S/C12H24N4O/c1-6-13-10(5)9(4)11-14-12(15-17-11)16(7-2)8-3/h9-10,13H,6-8H2,1-5H3
InChIKeyRPVASGIMHOFZJM-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.02
Rot. Bonds7

About N,N-diethyl-5-[3-(ethylamino)butan-2-yl]-1,2,4-oxadiazol-3-amine

N,N-diethyl-5-[3-(ethylamino)butan-2-yl]-1,2,4-oxadiazol-3-amine (PubChem CID 116809052) has the molecular formula C12H24N4O and a molecular weight of 240.35 g/mol. Its IUPAC name is N,N-diethyl-5-[3-(ethylamino)butan-2-yl]-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound NameN,N-diethyl-5-[3-(ethylamino)butan-2-yl]-1,2,4-oxadiazol-3-amine
PubChem CID116809052
Molecular FormulaC12H24N4O
Molecular Weight240.35 g/mol
Exact Mass240.20
IUPAC NameN,N-diethyl-5-[3-(ethylamino)butan-2-yl]-1,2,4-oxadiazol-3-amine
SMILESCCNC(C)C(C)c1nc(N(CC)CC)no1
InChIInChI=1S/C12H24N4O/c1-6-13-10(5)9(4)11-14-12(15-17-11)16(7-2)8-3/h9-10,13H,6-8H2,1-5H3
InChIKeyRPVASGIMHOFZJM-UHFFFAOYSA-N
XLogP2.02
TPSA54.19 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 ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-3-(3-propyl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 63348667
1-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]ethanol
CID 116808889
5-(1-aminoethyl)-N,N-diethyl-1,2,4-oxadiazol-3-amine
CID 116806455
N,N-diethyl-5-[2-methyl-4-(propylamino)pentan-3-yl]-1,2,4-oxadiazol-3-amine
CID 116809085
N-ethyl-3-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63352034
3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-ethylbutan-2-amine
CID 63347961
5-[(1S)-1-amino-3-methylbutyl]-N,N-diethyl-1,2,4-oxadiazol-3-amine
CID 104904371
3-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-one
CID 116808735
N-ethyl-3-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 65093953
3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-ethylbutan-2-amine
CID 63347609
4-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]pentanenitrile
CID 106526949
3-[3-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylbutan-2-amine
CID 63347742

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-[3-(ethylamino)butan-2-yl]-1,2,4-oxadiazol-3-amine?
The IUPAC name of N,N-diethyl-5-[3-(ethylamino)butan-2-yl]-1,2,4-oxadiazol-3-amine (CID 116809052) is N,N-diethyl-5-[3-(ethylamino)butan-2-yl]-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for N,N-diethyl-5-[3-(ethylamino)butan-2-yl]-1,2,4-oxadiazol-3-amine?
The canonical SMILES for N,N-diethyl-5-[3-(ethylamino)butan-2-yl]-1,2,4-oxadiazol-3-amine is CCNC(C)C(C)c1nc(N(CC)CC)no1.
What is the InChIKey of N,N-diethyl-5-[3-(ethylamino)butan-2-yl]-1,2,4-oxadiazol-3-amine?
The InChIKey is RPVASGIMHOFZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O/c1-6-13-10(5)9(4)11-14-12(15-17-11)16(7-2)8-3/h9-10,13H,6-8H2,1-5H3.
What are the key properties of N,N-diethyl-5-[3-(ethylamino)butan-2-yl]-1,2,4-oxadiazol-3-amine?
N,N-diethyl-5-[3-(ethylamino)butan-2-yl]-1,2,4-oxadiazol-3-amine has a molecular weight of 240.35 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-[3-(ethylamino)butan-2-yl]-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 116809052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).