N-(1-cyclopropylbutan-2-yl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine

C11H20N4O — CID 106961626

IUPACN-(1-cyclopropylbutan-2-yl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine
SMILESCCC(CC1CC1)Nc1nnc(CNC)o1
InChIInChI=1S/C11H20N4O/c1-3-9(6-8-4-5-8)13-11-15-14-10(16-11)7-12-2/h8-9,12H,3-7H2,1-2H3,(H,13,15)
InChIKeyFXCPCUVQMFXSES-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.78
Rot. Bonds7

About N-(1-cyclopropylbutan-2-yl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine

N-(1-cyclopropylbutan-2-yl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106961626) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is N-(1-cyclopropylbutan-2-yl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(1-cyclopropylbutan-2-yl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine
PubChem CID106961626
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC NameN-(1-cyclopropylbutan-2-yl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine
SMILESCCC(CC1CC1)Nc1nnc(CNC)o1
InChIInChI=1S/C11H20N4O/c1-3-9(6-8-4-5-8)13-11-15-14-10(16-11)7-12-2/h8-9,12H,3-7H2,1-2H3,(H,13,15)
InChIKeyFXCPCUVQMFXSES-UHFFFAOYSA-N
XLogP1.78
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylbutan-2-yl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(1-cyclopropylbutan-2-yl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine (CID 106961626) is N-(1-cyclopropylbutan-2-yl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(1-cyclopropylbutan-2-yl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(1-cyclopropylbutan-2-yl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine is CCC(CC1CC1)Nc1nnc(CNC)o1.
What is the InChIKey of N-(1-cyclopropylbutan-2-yl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is FXCPCUVQMFXSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-3-9(6-8-4-5-8)13-11-15-14-10(16-11)7-12-2/h8-9,12H,3-7H2,1-2H3,(H,13,15).
What are the key properties of N-(1-cyclopropylbutan-2-yl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine?
N-(1-cyclopropylbutan-2-yl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 224.31 g/mol, XLogP of 1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylbutan-2-yl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106961626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).