5-[(1S)-1-amino-3-methylbutyl]-N,N-diethyl-1,2,4-oxadiazol-3-amine

C11H22N4O — CID 104904371

IUPAC5-[(1S)-1-amino-3-methylbutyl]-N,N-diethyl-1,2,4-oxadiazol-3-amine
SMILESCCN(CC)c1noc([C@@H](N)CC(C)C)n1
InChIInChI=1S/C11H22N4O/c1-5-15(6-2)11-13-10(16-14-11)9(12)7-8(3)4/h8-9H,5-7,12H2,1-4H3/t9-/m0/s1
InChIKeyWRWRGEWMHPMYLI-VIFPVBQESA-N
MW226.32 g/mol
LogP1.96
Rot. Bonds6

About 5-[(1S)-1-amino-3-methylbutyl]-N,N-diethyl-1,2,4-oxadiazol-3-amine

5-[(1S)-1-amino-3-methylbutyl]-N,N-diethyl-1,2,4-oxadiazol-3-amine (PubChem CID 104904371) has the molecular formula C11H22N4O and a molecular weight of 226.32 g/mol. Its IUPAC name is 5-[(1S)-1-amino-3-methylbutyl]-N,N-diethyl-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-[(1S)-1-amino-3-methylbutyl]-N,N-diethyl-1,2,4-oxadiazol-3-amine
PubChem CID104904371
Molecular FormulaC11H22N4O
Molecular Weight226.32 g/mol
Exact Mass226.18
IUPAC Name5-[(1S)-1-amino-3-methylbutyl]-N,N-diethyl-1,2,4-oxadiazol-3-amine
SMILESCCN(CC)c1noc([C@@H](N)CC(C)C)n1
InChIInChI=1S/C11H22N4O/c1-5-15(6-2)11-13-10(16-14-11)9(12)7-8(3)4/h8-9H,5-7,12H2,1-4H3/t9-/m0/s1
InChIKeyWRWRGEWMHPMYLI-VIFPVBQESA-N
XLogP1.96
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1-aminoethyl)-N,N-diethyl-1,2,4-oxadiazol-3-amine
CID 116806455
1-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]ethanol
CID 116808889
3-methyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 43108532
4-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]pentanenitrile
CID 106526949
(1S)-3-methyl-1-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 104904314
1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-3-methylbutan-1-amine
CID 43099581
3-amino-1-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 107837373
N,N-diethyl-5-[3-(ethylamino)butan-2-yl]-1,2,4-oxadiazol-3-amine
CID 116809052
3-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-one
CID 116808735
(1S)-3-methyl-1-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 104880958
5-[(1S)-1-aminopropyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 103822508
(1R)-1-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
CID 104904166

Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1-amino-3-methylbutyl]-N,N-diethyl-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-[(1S)-1-amino-3-methylbutyl]-N,N-diethyl-1,2,4-oxadiazol-3-amine (CID 104904371) is 5-[(1S)-1-amino-3-methylbutyl]-N,N-diethyl-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-[(1S)-1-amino-3-methylbutyl]-N,N-diethyl-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-[(1S)-1-amino-3-methylbutyl]-N,N-diethyl-1,2,4-oxadiazol-3-amine is CCN(CC)c1noc([C@@H](N)CC(C)C)n1.
What is the InChIKey of 5-[(1S)-1-amino-3-methylbutyl]-N,N-diethyl-1,2,4-oxadiazol-3-amine?
The InChIKey is WRWRGEWMHPMYLI-VIFPVBQESA-N. The full InChI is InChI=1S/C11H22N4O/c1-5-15(6-2)11-13-10(16-14-11)9(12)7-8(3)4/h8-9H,5-7,12H2,1-4H3/t9-/m0/s1.
What are the key properties of 5-[(1S)-1-amino-3-methylbutyl]-N,N-diethyl-1,2,4-oxadiazol-3-amine?
5-[(1S)-1-amino-3-methylbutyl]-N,N-diethyl-1,2,4-oxadiazol-3-amine has a molecular weight of 226.32 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-1-amino-3-methylbutyl]-N,N-diethyl-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 104904371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).