5-(aminomethyl)-N-(2-methoxy-2-methylpropyl)-1,3,4-oxadiazol-2-amine

C8H16N4O2 — CID 106964958

IUPAC5-(aminomethyl)-N-(2-methoxy-2-methylpropyl)-1,3,4-oxadiazol-2-amine
SMILESCOC(C)(C)CNc1nnc(CN)o1
InChIInChI=1S/C8H16N4O2/c1-8(2,13-3)5-10-7-12-11-6(4-9)14-7/h4-5,9H2,1-3H3,(H,10,12)
InChIKeyYFFNHKRSWCRQRG-UHFFFAOYSA-N
MW200.24 g/mol
LogP0.37
Rot. Bonds5

About 5-(aminomethyl)-N-(2-methoxy-2-methylpropyl)-1,3,4-oxadiazol-2-amine

5-(aminomethyl)-N-(2-methoxy-2-methylpropyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106964958) has the molecular formula C8H16N4O2 and a molecular weight of 200.24 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(2-methoxy-2-methylpropyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-N-(2-methoxy-2-methylpropyl)-1,3,4-oxadiazol-2-amine
PubChem CID106964958
Molecular FormulaC8H16N4O2
Molecular Weight200.24 g/mol
Exact Mass200.13
IUPAC Name5-(aminomethyl)-N-(2-methoxy-2-methylpropyl)-1,3,4-oxadiazol-2-amine
SMILESCOC(C)(C)CNc1nnc(CN)o1
InChIInChI=1S/C8H16N4O2/c1-8(2,13-3)5-10-7-12-11-6(4-9)14-7/h4-5,9H2,1-3H3,(H,10,12)
InChIKeyYFFNHKRSWCRQRG-UHFFFAOYSA-N
XLogP0.37
TPSA86.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(aminomethyl)-N-[(2-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106966308
5-(aminomethyl)-N-(thian-4-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106964738
5-(aminomethyl)-N-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106968329
5-(aminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)-1,3,4-oxadiazol-2-amine
CID 106961329
3-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]amino]-N-(2-methoxyethyl)propanamide
CID 106964385
5-(aminomethyl)-N-(1-methoxybutan-2-yl)-1,3,4-oxadiazol-2-amine
CID 106962109
3-[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-2,2-dimethylpropanamide
CID 106280983
5-(2-aminoethyl)-N-(2,2,3,3-tetrafluoropropyl)-1,3,4-oxadiazol-2-amine
CID 106296571
N-[3-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]amino]propyl]methanesulfonamide
CID 106332569
3-[[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]-2,2-dimethylpropanamide
CID 114167814
5-(aminomethyl)-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-1,3,4-oxadiazol-2-amine
CID 137340686
5-(aminomethyl)-N-(1,1-difluoropropan-2-yl)-1,3,4-oxadiazol-2-amine
CID 127011526

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(2-methoxy-2-methylpropyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(aminomethyl)-N-(2-methoxy-2-methylpropyl)-1,3,4-oxadiazol-2-amine (CID 106964958) is 5-(aminomethyl)-N-(2-methoxy-2-methylpropyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(aminomethyl)-N-(2-methoxy-2-methylpropyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(aminomethyl)-N-(2-methoxy-2-methylpropyl)-1,3,4-oxadiazol-2-amine is COC(C)(C)CNc1nnc(CN)o1.
What is the InChIKey of 5-(aminomethyl)-N-(2-methoxy-2-methylpropyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is YFFNHKRSWCRQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O2/c1-8(2,13-3)5-10-7-12-11-6(4-9)14-7/h4-5,9H2,1-3H3,(H,10,12).
What are the key properties of 5-(aminomethyl)-N-(2-methoxy-2-methylpropyl)-1,3,4-oxadiazol-2-amine?
5-(aminomethyl)-N-(2-methoxy-2-methylpropyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 200.24 g/mol, XLogP of 0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(2-methoxy-2-methylpropyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106964958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).