N,N,2-trimethyl-1-[5-(methylaminomethyl)pyrazin-2-yl]oxypropan-2-amine

C12H22N4O — CID 107382302

IUPACN,N,2-trimethyl-1-[5-(methylaminomethyl)pyrazin-2-yl]oxypropan-2-amine
SMILESCNCc1cnc(OCC(C)(C)N(C)C)cn1
InChIInChI=1S/C12H22N4O/c1-12(2,16(4)5)9-17-11-8-14-10(6-13-3)7-15-11/h7-8,13H,6,9H2,1-5H3
InChIKeyYSYSRNDEYFOBSY-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.92
Rot. Bonds6

About N,N,2-trimethyl-1-[5-(methylaminomethyl)pyrazin-2-yl]oxypropan-2-amine

N,N,2-trimethyl-1-[5-(methylaminomethyl)pyrazin-2-yl]oxypropan-2-amine (PubChem CID 107382302) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is N,N,2-trimethyl-1-[5-(methylaminomethyl)pyrazin-2-yl]oxypropan-2-amine.

Molecular Properties

Compound NameN,N,2-trimethyl-1-[5-(methylaminomethyl)pyrazin-2-yl]oxypropan-2-amine
PubChem CID107382302
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC NameN,N,2-trimethyl-1-[5-(methylaminomethyl)pyrazin-2-yl]oxypropan-2-amine
SMILESCNCc1cnc(OCC(C)(C)N(C)C)cn1
InChIInChI=1S/C12H22N4O/c1-12(2,16(4)5)9-17-11-8-14-10(6-13-3)7-15-11/h7-8,13H,6,9H2,1-5H3
InChIKeyYSYSRNDEYFOBSY-UHFFFAOYSA-N
XLogP0.92
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-1-[5-(methylaminomethyl)pyrazin-2-yl]oxypropan-2-amine?
The IUPAC name of N,N,2-trimethyl-1-[5-(methylaminomethyl)pyrazin-2-yl]oxypropan-2-amine (CID 107382302) is N,N,2-trimethyl-1-[5-(methylaminomethyl)pyrazin-2-yl]oxypropan-2-amine.
What is the SMILES notation for N,N,2-trimethyl-1-[5-(methylaminomethyl)pyrazin-2-yl]oxypropan-2-amine?
The canonical SMILES for N,N,2-trimethyl-1-[5-(methylaminomethyl)pyrazin-2-yl]oxypropan-2-amine is CNCc1cnc(OCC(C)(C)N(C)C)cn1.
What is the InChIKey of N,N,2-trimethyl-1-[5-(methylaminomethyl)pyrazin-2-yl]oxypropan-2-amine?
The InChIKey is YSYSRNDEYFOBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-12(2,16(4)5)9-17-11-8-14-10(6-13-3)7-15-11/h7-8,13H,6,9H2,1-5H3.
What are the key properties of N,N,2-trimethyl-1-[5-(methylaminomethyl)pyrazin-2-yl]oxypropan-2-amine?
N,N,2-trimethyl-1-[5-(methylaminomethyl)pyrazin-2-yl]oxypropan-2-amine has a molecular weight of 238.33 g/mol, XLogP of 0.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-1-[5-(methylaminomethyl)pyrazin-2-yl]oxypropan-2-amine is sourced from PubChem (CID 107382302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).