5-(1-amino-2-methylbutyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine

C9H18N4O — CID 115753218

IUPAC5-(1-amino-2-methylbutyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine
SMILESCCC(C)C(N)c1nc(N(C)C)no1
InChIInChI=1S/C9H18N4O/c1-5-6(2)7(10)8-11-9(12-14-8)13(3)4/h6-7H,5,10H2,1-4H3
InChIKeyYEIXIGUENBVYGW-UHFFFAOYSA-N
MW198.27 g/mol
LogP1.18
Rot. Bonds4

About 5-(1-amino-2-methylbutyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine

5-(1-amino-2-methylbutyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine (PubChem CID 115753218) has the molecular formula C9H18N4O and a molecular weight of 198.27 g/mol. Its IUPAC name is 5-(1-amino-2-methylbutyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-(1-amino-2-methylbutyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine
PubChem CID115753218
Molecular FormulaC9H18N4O
Molecular Weight198.27 g/mol
Exact Mass198.15
IUPAC Name5-(1-amino-2-methylbutyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine
SMILESCCC(C)C(N)c1nc(N(C)C)no1
InChIInChI=1S/C9H18N4O/c1-5-6(2)7(10)8-11-9(12-14-8)13(3)4/h6-7H,5,10H2,1-4H3
InChIKeyYEIXIGUENBVYGW-UHFFFAOYSA-N
XLogP1.18
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(1-amino-2-methylbutyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-amino-1-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 116799569
5-[(1S)-1-aminopropyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 103822508
(1S)-1-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 104900222
1-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 116701835
2-[5-[(1S)-1-amino-2-methylbutyl]-1,2,4-oxadiazol-3-yl]ethanol
CID 104900337
(1S,2S)-1-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 104900343
2-methyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 43622133
2-methyl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)butan-1-amine
CID 61319735
(1S,2S)-2-methyl-1-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 104900251
(1S)-2-amino-1-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]ethanol
CID 107837369
(1S)-1-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 107925138
N,N-dimethyl-5-[1-(methylamino)ethyl]-1,2,4-oxadiazol-3-amine
CID 116799690

Frequently Asked Questions

What is the IUPAC name of 5-(1-amino-2-methylbutyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-(1-amino-2-methylbutyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine (CID 115753218) is 5-(1-amino-2-methylbutyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-(1-amino-2-methylbutyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-(1-amino-2-methylbutyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine is CCC(C)C(N)c1nc(N(C)C)no1.
What is the InChIKey of 5-(1-amino-2-methylbutyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The InChIKey is YEIXIGUENBVYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O/c1-5-6(2)7(10)8-11-9(12-14-8)13(3)4/h6-7H,5,10H2,1-4H3.
What are the key properties of 5-(1-amino-2-methylbutyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
5-(1-amino-2-methylbutyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine has a molecular weight of 198.27 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-amino-2-methylbutyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 115753218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).