N-(1-methoxy-3-methylbutan-2-yl)-3-methyl-1,2,4-oxadiazol-5-amine

C9H17N3O2 — CID 106659786

IUPACN-(1-methoxy-3-methylbutan-2-yl)-3-methyl-1,2,4-oxadiazol-5-amine
SMILESCOCC(Nc1nc(C)no1)C(C)C
InChIInChI=1S/C9H17N3O2/c1-6(2)8(5-13-4)11-9-10-7(3)12-14-9/h6,8H,5H2,1-4H3,(H,10,11,12)
InChIKeySMKRTEBILGCQPI-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.46
Rot. Bonds5

About N-(1-methoxy-3-methylbutan-2-yl)-3-methyl-1,2,4-oxadiazol-5-amine

N-(1-methoxy-3-methylbutan-2-yl)-3-methyl-1,2,4-oxadiazol-5-amine (PubChem CID 106659786) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is N-(1-methoxy-3-methylbutan-2-yl)-3-methyl-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound NameN-(1-methoxy-3-methylbutan-2-yl)-3-methyl-1,2,4-oxadiazol-5-amine
PubChem CID106659786
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC NameN-(1-methoxy-3-methylbutan-2-yl)-3-methyl-1,2,4-oxadiazol-5-amine
SMILESCOCC(Nc1nc(C)no1)C(C)C
InChIInChI=1S/C9H17N3O2/c1-6(2)8(5-13-4)11-9-10-7(3)12-14-9/h6,8H,5H2,1-4H3,(H,10,11,12)
InChIKeySMKRTEBILGCQPI-UHFFFAOYSA-N
XLogP1.46
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methoxy-3-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butan-2-amine
CID 115889167
3-methyl-N-(5-methylhexan-2-yl)-1,2,4-oxadiazol-5-amine
CID 106659745
3-methyl-N-pentan-2-yl-1,2,4-oxadiazol-5-amine
CID 106659529
4-N-(1-methoxy-3-methylbutan-2-yl)-6-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80841759
N-(1-methoxy-3-methylbutan-2-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65274118
N-(1-methoxy-3-methylbutan-2-yl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106962202
(2S)-1-methoxy-N-[(1S)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]butan-2-amine
CID 99719035
5-bromo-N-(1-methoxy-3-methylbutan-2-yl)pyrimidin-2-amine
CID 65048689
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methyl-1,2,4-oxadiazol-5-amine
CID 106659817
3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2,4-oxadiazol-5-amine
CID 106214197
4-N-(1-methoxy-3-methylbutan-2-yl)-6-methylpyrimidine-2,4-diamine
CID 79033479
3-methyl-N-(1-pyridin-4-ylethyl)-1,2,4-oxadiazol-5-amine
CID 106659554

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxy-3-methylbutan-2-yl)-3-methyl-1,2,4-oxadiazol-5-amine?
The IUPAC name of N-(1-methoxy-3-methylbutan-2-yl)-3-methyl-1,2,4-oxadiazol-5-amine (CID 106659786) is N-(1-methoxy-3-methylbutan-2-yl)-3-methyl-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for N-(1-methoxy-3-methylbutan-2-yl)-3-methyl-1,2,4-oxadiazol-5-amine?
The canonical SMILES for N-(1-methoxy-3-methylbutan-2-yl)-3-methyl-1,2,4-oxadiazol-5-amine is COCC(Nc1nc(C)no1)C(C)C.
What is the InChIKey of N-(1-methoxy-3-methylbutan-2-yl)-3-methyl-1,2,4-oxadiazol-5-amine?
The InChIKey is SMKRTEBILGCQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-6(2)8(5-13-4)11-9-10-7(3)12-14-9/h6,8H,5H2,1-4H3,(H,10,11,12).
What are the key properties of N-(1-methoxy-3-methylbutan-2-yl)-3-methyl-1,2,4-oxadiazol-5-amine?
N-(1-methoxy-3-methylbutan-2-yl)-3-methyl-1,2,4-oxadiazol-5-amine has a molecular weight of 199.25 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxy-3-methylbutan-2-yl)-3-methyl-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 106659786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).