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

C11H22N4O — CID 106967641

IUPAC5-[(tert-butylamino)methyl]-N-(2-methylpropyl)-1,3,4-oxadiazol-2-amine
SMILESCC(C)CNc1nnc(CNC(C)(C)C)o1
InChIInChI=1S/C11H22N4O/c1-8(2)6-12-10-15-14-9(16-10)7-13-11(3,4)5/h8,13H,6-7H2,1-5H3,(H,12,15)
InChIKeyATEYYGGLZYIOJT-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.03
Rot. Bonds5

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

5-[(tert-butylamino)methyl]-N-(2-methylpropyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106967641) has the molecular formula C11H22N4O and a molecular weight of 226.32 g/mol. Its IUPAC name is 5-[(tert-butylamino)methyl]-N-(2-methylpropyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[(tert-butylamino)methyl]-N-(2-methylpropyl)-1,3,4-oxadiazol-2-amine
PubChem CID106967641
Molecular FormulaC11H22N4O
Molecular Weight226.32 g/mol
Exact Mass226.18
IUPAC Name5-[(tert-butylamino)methyl]-N-(2-methylpropyl)-1,3,4-oxadiazol-2-amine
SMILESCC(C)CNc1nnc(CNC(C)(C)C)o1
InChIInChI=1S/C11H22N4O/c1-8(2)6-12-10-15-14-9(16-10)7-13-11(3,4)5/h8,13H,6-7H2,1-5H3,(H,12,15)
InChIKeyATEYYGGLZYIOJT-UHFFFAOYSA-N
XLogP2.03
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(methylaminomethyl)-N-(2-methylpropyl)-1,3,4-oxadiazol-2-amine
CID 106967633
3-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N-methylpropanamide
CID 106971425
5-[(tert-butylamino)methyl]-N-(cyclohexylmethyl)-1,3,4-oxadiazol-2-amine
CID 106968921
5-[(tert-butylamino)methyl]-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106390517
5-[(tert-butylamino)methyl]-N,N-bis(2-methylpropyl)-1,3,4-oxadiazol-2-amine
CID 106969811
5-[(tert-butylamino)methyl]-N-[(1-methylcyclopentyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106961224
5-[(tert-butylamino)methyl]-N-(3-cyclopropylpropyl)-1,3,4-oxadiazol-2-amine
CID 106965461
5-[(tert-butylamino)methyl]-N-(1,3-thiazol-5-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106965416
2-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N,N-dimethylacetamide
CID 106968829
N-tert-butyl-2-[[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]acetamide
CID 106963591
5-[(tert-butylamino)methyl]-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106962688
5-[(tert-butylamino)methyl]-N-(thian-4-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106964745

Frequently Asked Questions

What is the IUPAC name of 5-[(tert-butylamino)methyl]-N-(2-methylpropyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[(tert-butylamino)methyl]-N-(2-methylpropyl)-1,3,4-oxadiazol-2-amine (CID 106967641) is 5-[(tert-butylamino)methyl]-N-(2-methylpropyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[(tert-butylamino)methyl]-N-(2-methylpropyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[(tert-butylamino)methyl]-N-(2-methylpropyl)-1,3,4-oxadiazol-2-amine is CC(C)CNc1nnc(CNC(C)(C)C)o1.
What is the InChIKey of 5-[(tert-butylamino)methyl]-N-(2-methylpropyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is ATEYYGGLZYIOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O/c1-8(2)6-12-10-15-14-9(16-10)7-13-11(3,4)5/h8,13H,6-7H2,1-5H3,(H,12,15).
What are the key properties of 5-[(tert-butylamino)methyl]-N-(2-methylpropyl)-1,3,4-oxadiazol-2-amine?
5-[(tert-butylamino)methyl]-N-(2-methylpropyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 226.32 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(tert-butylamino)methyl]-N-(2-methylpropyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106967641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).