3,3-dimethyl-1-(1,2,4-oxadiazol-5-yl)butan-1-amine

C8H15N3O — CID 131081533

IUPAC3,3-dimethyl-1-(1,2,4-oxadiazol-5-yl)butan-1-amine
SMILESCC(C)(C)CC(N)c1ncno1
InChIInChI=1S/C8H15N3O/c1-8(2,3)4-6(9)7-10-5-11-12-7/h5-6H,4,9H2,1-3H3
InChIKeyLLEIZQCYQFEQOX-UHFFFAOYSA-N
MW169.23 g/mol
LogP1.51
Rot. Bonds2

About 3,3-dimethyl-1-(1,2,4-oxadiazol-5-yl)butan-1-amine

3,3-dimethyl-1-(1,2,4-oxadiazol-5-yl)butan-1-amine (PubChem CID 131081533) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 3,3-dimethyl-1-(1,2,4-oxadiazol-5-yl)butan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-1-(1,2,4-oxadiazol-5-yl)butan-1-amine
PubChem CID131081533
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name3,3-dimethyl-1-(1,2,4-oxadiazol-5-yl)butan-1-amine
SMILESCC(C)(C)CC(N)c1ncno1
InChIInChI=1S/C8H15N3O/c1-8(2,3)4-6(9)7-10-5-11-12-7/h5-6H,4,9H2,1-3H3
InChIKeyLLEIZQCYQFEQOX-UHFFFAOYSA-N
XLogP1.51
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-(1,2,4-oxadiazol-5-yl)ethanol
CID 82234828
(1S)-1-(1,2,4-oxadiazol-5-yl)ethanamine
CID 28924821
(1S)-2-methyl-1-(1,2,4-oxadiazol-5-yl)propan-1-amine
CID 82418105
(1S)-2-methyl-1-(1,2,4-oxadiazol-5-yl)butan-1-amine
CID 102993814
(1S,2S)-2-methyl-1-(1,2,4-oxadiazol-5-yl)butan-1-amine
CID 82416346
2-(1,2,4-oxadiazol-5-yl)pentan-1-amine
CID 102993784
3-amino-5,5-dimethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]hexanamide
CID 114183576
3,3-dimethyl-1-(1-methyl-1,2,4-triazol-3-yl)butan-1-amine
CID 82407574
cyclopentane;pentakis(2-methylpropane);5-propan-2-yl-1,2,4-oxadiazole
CID 162280781
(1S)-3,3-dimethyl-1-pyrazin-2-ylbutan-1-amine
CID 130039914
(1S)-3,3-dimethyl-1-pyridin-2-ylbutan-1-amine
CID 99737676
1-(1,2,4-oxadiazol-5-yl)propan-2-amine
CID 82234832

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(1,2,4-oxadiazol-5-yl)butan-1-amine?
The IUPAC name of 3,3-dimethyl-1-(1,2,4-oxadiazol-5-yl)butan-1-amine (CID 131081533) is 3,3-dimethyl-1-(1,2,4-oxadiazol-5-yl)butan-1-amine.
What is the SMILES notation for 3,3-dimethyl-1-(1,2,4-oxadiazol-5-yl)butan-1-amine?
The canonical SMILES for 3,3-dimethyl-1-(1,2,4-oxadiazol-5-yl)butan-1-amine is CC(C)(C)CC(N)c1ncno1.
What is the InChIKey of 3,3-dimethyl-1-(1,2,4-oxadiazol-5-yl)butan-1-amine?
The InChIKey is LLEIZQCYQFEQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-8(2,3)4-6(9)7-10-5-11-12-7/h5-6H,4,9H2,1-3H3.
What are the key properties of 3,3-dimethyl-1-(1,2,4-oxadiazol-5-yl)butan-1-amine?
3,3-dimethyl-1-(1,2,4-oxadiazol-5-yl)butan-1-amine has a molecular weight of 169.23 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(1,2,4-oxadiazol-5-yl)butan-1-amine is sourced from PubChem (CID 131081533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).