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

C9H18N4O2 — CID 106971186

IUPACN-(3-methoxy-2-methylpropyl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine
SMILESCNCc1nnc(NCC(C)COC)o1
InChIInChI=1S/C9H18N4O2/c1-7(6-14-3)4-11-9-13-12-8(15-9)5-10-2/h7,10H,4-6H2,1-3H3,(H,11,13)
InChIKeyUSJUPVNXIDHHEJ-UHFFFAOYSA-N
MW214.27 g/mol
LogP0.48
Rot. Bonds7

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

N-(3-methoxy-2-methylpropyl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106971186) has the molecular formula C9H18N4O2 and a molecular weight of 214.27 g/mol. Its IUPAC name is N-(3-methoxy-2-methylpropyl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(3-methoxy-2-methylpropyl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine
PubChem CID106971186
Molecular FormulaC9H18N4O2
Molecular Weight214.27 g/mol
Exact Mass214.14
IUPAC NameN-(3-methoxy-2-methylpropyl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine
SMILESCNCc1nnc(NCC(C)COC)o1
InChIInChI=1S/C9H18N4O2/c1-7(6-14-3)4-11-9-13-12-8(15-9)5-10-2/h7,10H,4-6H2,1-3H3,(H,11,13)
InChIKeyUSJUPVNXIDHHEJ-UHFFFAOYSA-N
XLogP0.48
TPSA72.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-2-methylpropyl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(3-methoxy-2-methylpropyl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine (CID 106971186) is N-(3-methoxy-2-methylpropyl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(3-methoxy-2-methylpropyl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(3-methoxy-2-methylpropyl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine is CNCc1nnc(NCC(C)COC)o1.
What is the InChIKey of N-(3-methoxy-2-methylpropyl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is USJUPVNXIDHHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O2/c1-7(6-14-3)4-11-9-13-12-8(15-9)5-10-2/h7,10H,4-6H2,1-3H3,(H,11,13).
What are the key properties of N-(3-methoxy-2-methylpropyl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine?
N-(3-methoxy-2-methylpropyl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 214.27 g/mol, XLogP of 0.48, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-2-methylpropyl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106971186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).