N-[[5-(oxolan-3-ylmethoxy)pyrazin-2-yl]methyl]propan-1-amine

C13H21N3O2 — CID 107382055

IUPACN-[[5-(oxolan-3-ylmethoxy)pyrazin-2-yl]methyl]propan-1-amine
SMILESCCCNCc1cnc(OCC2CCOC2)cn1
InChIInChI=1S/C13H21N3O2/c1-2-4-14-6-12-7-16-13(8-15-12)18-10-11-3-5-17-9-11/h7-8,11,14H,2-6,9-10H2,1H3
InChIKeyJIIQHPMMKRRNMO-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.39
Rot. Bonds7

About N-[[5-(oxolan-3-ylmethoxy)pyrazin-2-yl]methyl]propan-1-amine

N-[[5-(oxolan-3-ylmethoxy)pyrazin-2-yl]methyl]propan-1-amine (PubChem CID 107382055) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[[5-(oxolan-3-ylmethoxy)pyrazin-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-(oxolan-3-ylmethoxy)pyrazin-2-yl]methyl]propan-1-amine
PubChem CID107382055
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN-[[5-(oxolan-3-ylmethoxy)pyrazin-2-yl]methyl]propan-1-amine
SMILESCCCNCc1cnc(OCC2CCOC2)cn1
InChIInChI=1S/C13H21N3O2/c1-2-4-14-6-12-7-16-13(8-15-12)18-10-11-3-5-17-9-11/h7-8,11,14H,2-6,9-10H2,1H3
InChIKeyJIIQHPMMKRRNMO-UHFFFAOYSA-N
XLogP1.39
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(5-Ethoxypyrazin-2-yl)methanamine
CID 64287601
[5-(Propan-2-yloxy)pyrazin-2-yl]methanamine
CID 64287828
2-methyl-N-[[6-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methyl]propan-2-amine
CID 66449213
2-methyl-N-[[6-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methyl]propan-1-amine
CID 66449416
N-methyl-1-[6-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methanamine
CID 66449613
N-[[6-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methyl]ethanamine
CID 66449615
2-methyl-N-[[6-(2,2,2-trifluoroethoxy)pyrazin-2-yl]methyl]propan-2-amine
CID 66449791
N-[[6-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methyl]propan-1-amine
CID 66449812
N-[[6-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methyl]propan-2-amine
CID 66450006
2-methyl-N-[[6-(2,2,2-trifluoroethoxy)pyrazin-2-yl]methyl]propan-1-amine
CID 66450182
N-methyl-1-[6-(2,2,2-trifluoroethoxy)pyrazin-2-yl]methanamine
CID 66450184
N-[[6-(2,2,2-trifluoroethoxy)pyrazin-2-yl]methyl]ethanamine
CID 66450378

Frequently Asked Questions

What is the IUPAC name of N-[[5-(oxolan-3-ylmethoxy)pyrazin-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-(oxolan-3-ylmethoxy)pyrazin-2-yl]methyl]propan-1-amine (CID 107382055) is N-[[5-(oxolan-3-ylmethoxy)pyrazin-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-(oxolan-3-ylmethoxy)pyrazin-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-(oxolan-3-ylmethoxy)pyrazin-2-yl]methyl]propan-1-amine is CCCNCc1cnc(OCC2CCOC2)cn1.
What is the InChIKey of N-[[5-(oxolan-3-ylmethoxy)pyrazin-2-yl]methyl]propan-1-amine?
The InChIKey is JIIQHPMMKRRNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-2-4-14-6-12-7-16-13(8-15-12)18-10-11-3-5-17-9-11/h7-8,11,14H,2-6,9-10H2,1H3.
What are the key properties of N-[[5-(oxolan-3-ylmethoxy)pyrazin-2-yl]methyl]propan-1-amine?
N-[[5-(oxolan-3-ylmethoxy)pyrazin-2-yl]methyl]propan-1-amine has a molecular weight of 251.33 g/mol, XLogP of 1.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(oxolan-3-ylmethoxy)pyrazin-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 107382055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).