N'-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N,N,N'-trimethylpropane-1,3-diamine

C12H25N5O — CID 55226182

IUPACN'-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N,N,N'-trimethylpropane-1,3-diamine
SMILESCN(C)CCCN(C)Cc1nc(C(C)(C)N)no1
InChIInChI=1S/C12H25N5O/c1-12(2,13)11-14-10(18-15-11)9-17(5)8-6-7-16(3)4/h6-9,13H2,1-5H3
InChIKeyLLBIBPUNCNSECJ-UHFFFAOYSA-N
MW255.37 g/mol
LogP0.65
Rot. Bonds7

About N'-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N,N,N'-trimethylpropane-1,3-diamine

N'-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N,N,N'-trimethylpropane-1,3-diamine (PubChem CID 55226182) has the molecular formula C12H25N5O and a molecular weight of 255.37 g/mol. Its IUPAC name is N'-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N,N,N'-trimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N,N,N'-trimethylpropane-1,3-diamine
PubChem CID55226182
Molecular FormulaC12H25N5O
Molecular Weight255.37 g/mol
Exact Mass255.21
IUPAC NameN'-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N,N,N'-trimethylpropane-1,3-diamine
SMILESCN(C)CCCN(C)Cc1nc(C(C)(C)N)no1
InChIInChI=1S/C12H25N5O/c1-12(2,13)11-14-10(18-15-11)9-17(5)8-6-7-16(3)4/h6-9,13H2,1-5H3
InChIKeyLLBIBPUNCNSECJ-UHFFFAOYSA-N
XLogP0.65
TPSA71.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N'-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N,N,N'-trimethylpropane-1,3-diamine?
The IUPAC name of N'-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N,N,N'-trimethylpropane-1,3-diamine (CID 55226182) is N'-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N,N,N'-trimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N,N,N'-trimethylpropane-1,3-diamine?
The canonical SMILES for N'-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N,N,N'-trimethylpropane-1,3-diamine is CN(C)CCCN(C)Cc1nc(C(C)(C)N)no1.
What is the InChIKey of N'-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N,N,N'-trimethylpropane-1,3-diamine?
The InChIKey is LLBIBPUNCNSECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N5O/c1-12(2,13)11-14-10(18-15-11)9-17(5)8-6-7-16(3)4/h6-9,13H2,1-5H3.
What are the key properties of N'-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N,N,N'-trimethylpropane-1,3-diamine?
N'-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N,N,N'-trimethylpropane-1,3-diamine has a molecular weight of 255.37 g/mol, XLogP of 0.65, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N,N,N'-trimethylpropane-1,3-diamine is sourced from PubChem (CID 55226182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).