5-[[5-(aminomethyl)pyrazin-2-yl]-methylamino]pentan-1-ol

C11H20N4O — CID 107198062

IUPAC5-[[5-(aminomethyl)pyrazin-2-yl]-methylamino]pentan-1-ol
SMILESCN(CCCCCO)c1cnc(CN)cn1
InChIInChI=1S/C11H20N4O/c1-15(5-3-2-4-6-16)11-9-13-10(7-12)8-14-11/h8-9,16H,2-7,12H2,1H3
InChIKeyLTGRYFQXDXMBHH-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.53
Rot. Bonds7

About 5-[[5-(aminomethyl)pyrazin-2-yl]-methylamino]pentan-1-ol

5-[[5-(aminomethyl)pyrazin-2-yl]-methylamino]pentan-1-ol (PubChem CID 107198062) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 5-[[5-(aminomethyl)pyrazin-2-yl]-methylamino]pentan-1-ol.

Molecular Properties

Compound Name5-[[5-(aminomethyl)pyrazin-2-yl]-methylamino]pentan-1-ol
PubChem CID107198062
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name5-[[5-(aminomethyl)pyrazin-2-yl]-methylamino]pentan-1-ol
SMILESCN(CCCCCO)c1cnc(CN)cn1
InChIInChI=1S/C11H20N4O/c1-15(5-3-2-4-6-16)11-9-13-10(7-12)8-14-11/h8-9,16H,2-7,12H2,1H3
InChIKeyLTGRYFQXDXMBHH-UHFFFAOYSA-N
XLogP0.53
TPSA75.27 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 ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[(5-aminopyrazin-2-yl)-methylamino]pentan-1-ol
CID 107207397
5-(aminomethyl)-N-methyl-N-pent-4-enylpyrazin-2-amine
CID 107380878
5-[5-hydroxypentyl(methyl)amino]pyrazine-2-carboximidamide
CID 107200173
2-[[5-(hydroxymethyl)pyrazin-2-yl]-methylamino]ethanol
CID 107372728
3-[[5-(aminomethyl)pyrazin-2-yl]-methylamino]-N-methylpropanamide
CID 106914421
5-[[5-[(1R)-1-hydroxyethyl]-2-pyridinyl]-methylamino]pentan-1-ol
CID 107200886
5-[(6-ethylpyrimidin-4-yl)-methylamino]pentan-1-ol
CID 107203397
[5-[methyl(prop-2-ynyl)amino]pyrazin-2-yl]methanol
CID 107372927
4-[methyl(pyridin-2-yl)amino]butan-1-ol
CID 115217548
2-N-methyl-2-N-pentylpyrazine-2,5-diamine
CID 80653265
5-[(6-bromo-2-pyridinyl)-methylamino]pentan-1-ol
CID 107201811
5-[(3,6-dimethylpyrazin-2-yl)-methylamino]pentan-1-ol
CID 107203507

Frequently Asked Questions

What is the IUPAC name of 5-[[5-(aminomethyl)pyrazin-2-yl]-methylamino]pentan-1-ol?
The IUPAC name of 5-[[5-(aminomethyl)pyrazin-2-yl]-methylamino]pentan-1-ol (CID 107198062) is 5-[[5-(aminomethyl)pyrazin-2-yl]-methylamino]pentan-1-ol.
What is the SMILES notation for 5-[[5-(aminomethyl)pyrazin-2-yl]-methylamino]pentan-1-ol?
The canonical SMILES for 5-[[5-(aminomethyl)pyrazin-2-yl]-methylamino]pentan-1-ol is CN(CCCCCO)c1cnc(CN)cn1.
What is the InChIKey of 5-[[5-(aminomethyl)pyrazin-2-yl]-methylamino]pentan-1-ol?
The InChIKey is LTGRYFQXDXMBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-15(5-3-2-4-6-16)11-9-13-10(7-12)8-14-11/h8-9,16H,2-7,12H2,1H3.
What are the key properties of 5-[[5-(aminomethyl)pyrazin-2-yl]-methylamino]pentan-1-ol?
5-[[5-(aminomethyl)pyrazin-2-yl]-methylamino]pentan-1-ol has a molecular weight of 224.31 g/mol, XLogP of 0.53, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(aminomethyl)pyrazin-2-yl]-methylamino]pentan-1-ol is sourced from PubChem (CID 107198062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).