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

C13H26N4O2 — CID 106962083

IUPAC5-[(tert-butylamino)methyl]-N-(1-methoxypentan-2-yl)-1,3,4-oxadiazol-2-amine
SMILESCCCC(COC)Nc1nnc(CNC(C)(C)C)o1
InChIInChI=1S/C13H26N4O2/c1-6-7-10(9-18-5)15-12-17-16-11(19-12)8-14-13(2,3)4/h10,14H,6-9H2,1-5H3,(H,15,17)
InChIKeyFFUGLTFCKAMDNU-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.18
Rot. Bonds8

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

5-[(tert-butylamino)methyl]-N-(1-methoxypentan-2-yl)-1,3,4-oxadiazol-2-amine (PubChem CID 106962083) has the molecular formula C13H26N4O2 and a molecular weight of 270.38 g/mol. Its IUPAC name is 5-[(tert-butylamino)methyl]-N-(1-methoxypentan-2-yl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[(tert-butylamino)methyl]-N-(1-methoxypentan-2-yl)-1,3,4-oxadiazol-2-amine
PubChem CID106962083
Molecular FormulaC13H26N4O2
Molecular Weight270.38 g/mol
Exact Mass270.21
IUPAC Name5-[(tert-butylamino)methyl]-N-(1-methoxypentan-2-yl)-1,3,4-oxadiazol-2-amine
SMILESCCCC(COC)Nc1nnc(CNC(C)(C)C)o1
InChIInChI=1S/C13H26N4O2/c1-6-7-10(9-18-5)15-12-17-16-11(19-12)8-14-13(2,3)4/h10,14H,6-9H2,1-5H3,(H,15,17)
InChIKeyFFUGLTFCKAMDNU-UHFFFAOYSA-N
XLogP2.18
TPSA72.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(aminomethyl)-N-(1-methoxybutan-2-yl)-1,3,4-oxadiazol-2-amine
CID 106962109
5-[(tert-butylamino)methyl]-N-(1-thiophen-2-ylbutyl)-1,3,4-oxadiazol-2-amine
CID 106970652
N-[[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62138711
5-[(cyclopropylamino)methyl]-N-hexan-3-yl-1,3,4-oxadiazol-2-amine
CID 106960442
5-[(tert-butylamino)methyl]-N-(2-methylpropyl)-1,3,4-oxadiazol-2-amine
CID 106967641
5-[(2-methoxyethylamino)methyl]-N-(1-methylsulfanylbutan-2-yl)-1,3,4-oxadiazol-2-amine
CID 106965524
5-[(tert-butylamino)methyl]-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106964534
5-[(tert-butylamino)methyl]-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106390517
5-(2-aminoethyl)-N-hexan-3-yl-1,3,4-oxadiazol-2-amine
CID 106960441
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-(2,2-dimethylheptyl)-1,3,4-oxadiazol-2-amine
CID 106963397
2-N-(1-methoxybutan-2-yl)-1,3,4-oxadiazole-2,5-diamine
CID 103437094

Frequently Asked Questions

What is the IUPAC name of 5-[(tert-butylamino)methyl]-N-(1-methoxypentan-2-yl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[(tert-butylamino)methyl]-N-(1-methoxypentan-2-yl)-1,3,4-oxadiazol-2-amine (CID 106962083) is 5-[(tert-butylamino)methyl]-N-(1-methoxypentan-2-yl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[(tert-butylamino)methyl]-N-(1-methoxypentan-2-yl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[(tert-butylamino)methyl]-N-(1-methoxypentan-2-yl)-1,3,4-oxadiazol-2-amine is CCCC(COC)Nc1nnc(CNC(C)(C)C)o1.
What is the InChIKey of 5-[(tert-butylamino)methyl]-N-(1-methoxypentan-2-yl)-1,3,4-oxadiazol-2-amine?
The InChIKey is FFUGLTFCKAMDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O2/c1-6-7-10(9-18-5)15-12-17-16-11(19-12)8-14-13(2,3)4/h10,14H,6-9H2,1-5H3,(H,15,17).
What are the key properties of 5-[(tert-butylamino)methyl]-N-(1-methoxypentan-2-yl)-1,3,4-oxadiazol-2-amine?
5-[(tert-butylamino)methyl]-N-(1-methoxypentan-2-yl)-1,3,4-oxadiazol-2-amine has a molecular weight of 270.38 g/mol, XLogP of 2.18, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(tert-butylamino)methyl]-N-(1-methoxypentan-2-yl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106962083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).