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

C8H15N3O — CID 130520344

IUPAC3-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-amine
SMILESCc1noc(C(C)(C)CCN)n1
InChIInChI=1S/C8H15N3O/c1-6-10-7(12-11-6)8(2,3)4-5-9/h4-5,9H2,1-3H3
InChIKeyUWHWUKQHTGWQDU-UHFFFAOYSA-N
MW169.23 g/mol
LogP1.00
Rot. Bonds3

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

3-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-amine (PubChem CID 130520344) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 3-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-amine.

Molecular Properties

Compound Name3-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-amine
PubChem CID130520344
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name3-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-amine
SMILESCc1noc(C(C)(C)CCN)n1
InChIInChI=1S/C8H15N3O/c1-6-10-7(12-11-6)8(2,3)4-5-9/h4-5,9H2,1-3H3
InChIKeyUWHWUKQHTGWQDU-UHFFFAOYSA-N
XLogP1.00
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 115430512
N-ethyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-amine
CID 62819214
methyl 2,2,4-trimethyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pentanoate
CID 143600158
[5-(2-methylbutan-2-yl)-1,2,4-oxadiazol-3-yl]methanamine
CID 62677703
iodomethane;3-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)butan-2-one
CID 160916070
2-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]-N,N,2-trimethylpropan-1-amine;dihydrochloride
CID 68755382
2-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 107502143
2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine
CID 59777410
3-amino-N-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
CID 130167629
2-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine;hydrochloride
CID 119948247
N-chloro-1-(3-methyl-1,2,4-oxadiazol-5-yl)methanamine
CID 165372391
(3-methyl-1,2,4-oxadiazol-5-yl)phosphane
CID 135269813

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-amine?
The IUPAC name of 3-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-amine (CID 130520344) is 3-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-amine.
What is the SMILES notation for 3-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-amine?
The canonical SMILES for 3-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-amine is Cc1noc(C(C)(C)CCN)n1.
What is the InChIKey of 3-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-amine?
The InChIKey is UWHWUKQHTGWQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-6-10-7(12-11-6)8(2,3)4-5-9/h4-5,9H2,1-3H3.
What are the key properties of 3-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-amine?
3-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-amine has a molecular weight of 169.23 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-amine is sourced from PubChem (CID 130520344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).