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

C9H18N4O — CID 115741669

IUPAC5-[(tert-butylamino)methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
SMILESCN(C)c1noc(CNC(C)(C)C)n1
InChIInChI=1S/C9H18N4O/c1-9(2,3)10-6-7-11-8(12-14-7)13(4)5/h10H,6H2,1-5H3
InChIKeyMSWNFRWXIPQRFY-UHFFFAOYSA-N
MW198.27 g/mol
LogP1.02
Rot. Bonds3

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

5-[(tert-butylamino)methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine (PubChem CID 115741669) has the molecular formula C9H18N4O and a molecular weight of 198.27 g/mol. Its IUPAC name is 5-[(tert-butylamino)methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-[(tert-butylamino)methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
PubChem CID115741669
Molecular FormulaC9H18N4O
Molecular Weight198.27 g/mol
Exact Mass198.15
IUPAC Name5-[(tert-butylamino)methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
SMILESCN(C)c1noc(CNC(C)(C)C)n1
InChIInChI=1S/C9H18N4O/c1-9(2,3)10-6-7-11-8(12-14-7)13(4)5/h10H,6H2,1-5H3
InChIKeyMSWNFRWXIPQRFY-UHFFFAOYSA-N
XLogP1.02
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine
CID 59777410
N-[[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 55243449
5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 133487649
5-(2-aminoethyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 75481048
5-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 133487663
2-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dimethylbutanoic acid
CID 116799727
2-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]acetic acid
CID 116799732
N,N-dimethyl-5-[2-(methylamino)propyl]-1,2,4-oxadiazol-3-amine
CID 116799810
5-[[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 133487610
2-methyl-N-[(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine
CID 63771665
N,N-dimethyl-5-[2-(propan-2-ylamino)ethyl]-1,2,4-oxadiazol-3-amine
CID 115747820
N,N-dimethyl-5-[[(8-methylquinazolin-4-yl)amino]methyl]-1,2,4-oxadiazol-3-amine
CID 133487722

Frequently Asked Questions

What is the IUPAC name of 5-[(tert-butylamino)methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-[(tert-butylamino)methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine (CID 115741669) is 5-[(tert-butylamino)methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-[(tert-butylamino)methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-[(tert-butylamino)methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine is CN(C)c1noc(CNC(C)(C)C)n1.
What is the InChIKey of 5-[(tert-butylamino)methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The InChIKey is MSWNFRWXIPQRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O/c1-9(2,3)10-6-7-11-8(12-14-7)13(4)5/h10H,6H2,1-5H3.
What are the key properties of 5-[(tert-butylamino)methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
5-[(tert-butylamino)methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine has a molecular weight of 198.27 g/mol, XLogP of 1.02, 3 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-dimethyl-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 115741669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).