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

C10H19N3O — CID 43108532

IUPAC3-methyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
SMILESCC(C)CC(N)c1nc(C(C)C)no1
InChIInChI=1S/C10H19N3O/c1-6(2)5-8(11)10-12-9(7(3)4)13-14-10/h6-8H,5,11H2,1-4H3
InChIKeySIHJCKIXZFESMM-UHFFFAOYSA-N
MW197.28 g/mol
LogP2.24
Rot. Bonds4

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

3-methyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine (PubChem CID 43108532) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 3-methyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine.

Molecular Properties

Compound Name3-methyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
PubChem CID43108532
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name3-methyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
SMILESCC(C)CC(N)c1nc(C(C)C)no1
InChIInChI=1S/C10H19N3O/c1-6(2)5-8(11)10-12-9(7(3)4)13-14-10/h6-8H,5,11H2,1-4H3
InChIKeySIHJCKIXZFESMM-UHFFFAOYSA-N
XLogP2.24
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(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
1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 43630134
1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pentan-1-amine
CID 43470394
2-methylsulfonyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 83290514
(1S)-3-methyl-1-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 104880721
5-[(1S)-1-amino-3-methylbutyl]-N,N-diethyl-1,2,4-oxadiazol-3-amine
CID 104904371
(1S)-2,2-dimethyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 93057363
2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 62676276
(1R)-1-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
CID 104904166
(1R)-1-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
CID 106814666
1-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
CID 65094593

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine?
The IUPAC name of 3-methyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine (CID 43108532) is 3-methyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine.
What is the SMILES notation for 3-methyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine?
The canonical SMILES for 3-methyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine is CC(C)CC(N)c1nc(C(C)C)no1.
What is the InChIKey of 3-methyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine?
The InChIKey is SIHJCKIXZFESMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-6(2)5-8(11)10-12-9(7(3)4)13-14-10/h6-8H,5,11H2,1-4H3.
What are the key properties of 3-methyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine?
3-methyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine has a molecular weight of 197.28 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine is sourced from PubChem (CID 43108532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).