5-(4-aminobutan-2-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine

C9H18N4O — CID 116808252

IUPAC5-(4-aminobutan-2-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine
SMILESCCN(C)c1noc(C(C)CCN)n1
InChIInChI=1S/C9H18N4O/c1-4-13(3)9-11-8(14-12-9)7(2)5-6-10/h7H,4-6,10H2,1-3H3
InChIKeyMNOYSQPDKXGYME-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.98
Rot. Bonds5

About 5-(4-aminobutan-2-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine

5-(4-aminobutan-2-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine (PubChem CID 116808252) has the molecular formula C9H18N4O and a molecular weight of 198.27 g/mol. Its IUPAC name is 5-(4-aminobutan-2-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-(4-aminobutan-2-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine
PubChem CID116808252
Molecular FormulaC9H18N4O
Molecular Weight198.27 g/mol
Exact Mass198.15
IUPAC Name5-(4-aminobutan-2-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine
SMILESCCN(C)c1noc(C(C)CCN)n1
InChIInChI=1S/C9H18N4O/c1-4-13(3)9-11-8(14-12-9)7(2)5-6-10/h7H,4-6,10H2,1-3H3
InChIKeyMNOYSQPDKXGYME-UHFFFAOYSA-N
XLogP0.98
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-5-[1-(ethylamino)propan-2-yl]-N-methyl-1,2,4-oxadiazol-3-amine
CID 116808322
N-ethyl-N-methyl-5-[1-(propylamino)ethyl]-1,2,4-oxadiazol-3-amine
CID 116809420
5-(1-amino-1-phenylpropan-2-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine
CID 116809394
3-amino-1-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 107837373
3-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 80539976
4-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]pentanenitrile
CID 106526949
3-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 80540079
3-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 80539896
5-(1-aminoethyl)-N,N-diethyl-1,2,4-oxadiazol-3-amine
CID 116806455
1-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 116809019
O-[[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]methyl]hydroxylamine
CID 116808238
3-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 80540163

Frequently Asked Questions

What is the IUPAC name of 5-(4-aminobutan-2-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-(4-aminobutan-2-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine (CID 116808252) is 5-(4-aminobutan-2-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-(4-aminobutan-2-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-(4-aminobutan-2-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine is CCN(C)c1noc(C(C)CCN)n1.
What is the InChIKey of 5-(4-aminobutan-2-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine?
The InChIKey is MNOYSQPDKXGYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O/c1-4-13(3)9-11-8(14-12-9)7(2)5-6-10/h7H,4-6,10H2,1-3H3.
What are the key properties of 5-(4-aminobutan-2-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine?
5-(4-aminobutan-2-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine has a molecular weight of 198.27 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminobutan-2-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 116808252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).