5-[(tert-butylamino)methyl]-N,N-diethyl-1,3,4-oxadiazol-2-amine

C11H22N4O — CID 106967540

IUPAC5-[(tert-butylamino)methyl]-N,N-diethyl-1,3,4-oxadiazol-2-amine
SMILESCCN(CC)c1nnc(CNC(C)(C)C)o1
InChIInChI=1S/C11H22N4O/c1-6-15(7-2)10-14-13-9(16-10)8-12-11(3,4)5/h12H,6-8H2,1-5H3
InChIKeyIJTYNEUUORNUIX-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.80
Rot. Bonds5

About 5-[(tert-butylamino)methyl]-N,N-diethyl-1,3,4-oxadiazol-2-amine

5-[(tert-butylamino)methyl]-N,N-diethyl-1,3,4-oxadiazol-2-amine (PubChem CID 106967540) has the molecular formula C11H22N4O and a molecular weight of 226.32 g/mol. Its IUPAC name is 5-[(tert-butylamino)methyl]-N,N-diethyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[(tert-butylamino)methyl]-N,N-diethyl-1,3,4-oxadiazol-2-amine
PubChem CID106967540
Molecular FormulaC11H22N4O
Molecular Weight226.32 g/mol
Exact Mass226.18
IUPAC Name5-[(tert-butylamino)methyl]-N,N-diethyl-1,3,4-oxadiazol-2-amine
SMILESCCN(CC)c1nnc(CNC(C)(C)C)o1
InChIInChI=1S/C11H22N4O/c1-6-15(7-2)10-14-13-9(16-10)8-12-11(3,4)5/h12H,6-8H2,1-5H3
InChIKeyIJTYNEUUORNUIX-UHFFFAOYSA-N
XLogP1.80
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-ethylamino]ethanol
CID 106969630
2-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-ethylamino]-N-propan-2-ylacetamide
CID 106971169
5-[(tert-butylamino)methyl]-N,N-bis(2-methylpropyl)-1,3,4-oxadiazol-2-amine
CID 106969811
5-[(tert-butylamino)methyl]-N-ethyl-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106963085
5-[(tert-butylamino)methyl]-N-methyl-N-(2-methylbutan-2-yl)-1,3,4-oxadiazol-2-amine
CID 106961668
5-[(tert-butylamino)methyl]-N-cyclopentyl-N-ethyl-1,3,4-oxadiazol-2-amine
CID 106969105
5-[(tert-butylamino)methyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)-1,3,4-oxadiazol-2-amine
CID 106964210
5-[(tert-butylamino)methyl]-N-(2-fluorophenyl)-N-methyl-1,3,4-oxadiazol-2-amine
CID 106970975
N-[[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62138711
5-[(tert-butylamino)methyl]-N-[(4-fluorophenyl)methyl]-N-methyl-1,3,4-oxadiazol-2-amine
CID 106960172
2-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-cyclopentylamino]ethanol
CID 106971108
5-[(tert-butylamino)methyl]-N-methyl-N-[(2-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106959317

Frequently Asked Questions

What is the IUPAC name of 5-[(tert-butylamino)methyl]-N,N-diethyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[(tert-butylamino)methyl]-N,N-diethyl-1,3,4-oxadiazol-2-amine (CID 106967540) is 5-[(tert-butylamino)methyl]-N,N-diethyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[(tert-butylamino)methyl]-N,N-diethyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[(tert-butylamino)methyl]-N,N-diethyl-1,3,4-oxadiazol-2-amine is CCN(CC)c1nnc(CNC(C)(C)C)o1.
What is the InChIKey of 5-[(tert-butylamino)methyl]-N,N-diethyl-1,3,4-oxadiazol-2-amine?
The InChIKey is IJTYNEUUORNUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O/c1-6-15(7-2)10-14-13-9(16-10)8-12-11(3,4)5/h12H,6-8H2,1-5H3.
What are the key properties of 5-[(tert-butylamino)methyl]-N,N-diethyl-1,3,4-oxadiazol-2-amine?
5-[(tert-butylamino)methyl]-N,N-diethyl-1,3,4-oxadiazol-2-amine has a molecular weight of 226.32 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(tert-butylamino)methyl]-N,N-diethyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106967540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).