5-(octan-2-yloxymethyl)pyrazin-2-amine

C13H23N3O — CID 103058562

IUPAC5-(octan-2-yloxymethyl)pyrazin-2-amine
SMILESCCCCCCC(C)OCc1cnc(N)cn1
InChIInChI=1S/C13H23N3O/c1-3-4-5-6-7-11(2)17-10-12-8-16-13(14)9-15-12/h8-9,11H,3-7,10H2,1-2H3,(H2,14,16)
InChIKeyNSUYWENJFWNJKT-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.93
Rot. Bonds8

About 5-(octan-2-yloxymethyl)pyrazin-2-amine

5-(octan-2-yloxymethyl)pyrazin-2-amine (PubChem CID 103058562) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 5-(octan-2-yloxymethyl)pyrazin-2-amine.

Molecular Properties

Compound Name5-(octan-2-yloxymethyl)pyrazin-2-amine
PubChem CID103058562
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name5-(octan-2-yloxymethyl)pyrazin-2-amine
SMILESCCCCCCC(C)OCc1cnc(N)cn1
InChIInChI=1S/C13H23N3O/c1-3-4-5-6-7-11(2)17-10-12-8-16-13(14)9-15-12/h8-9,11H,3-7,10H2,1-2H3,(H2,14,16)
InChIKeyNSUYWENJFWNJKT-UHFFFAOYSA-N
XLogP2.93
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(octan-2-yloxymethyl)pyrazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(octan-2-yloxymethyl)pyridin-2-amine
CID 55044841
5-(1-ethoxypropan-2-yloxymethyl)pyrazin-2-amine
CID 103490235
4-chloro-2-(octan-2-yloxymethyl)pyridine
CID 79256215
5-(propoxymethyl)pyrazin-2-amine
CID 103058721
2-(octan-2-yloxymethyl)aniline
CID 43127032
5-(octan-2-yloxymethyl)-N-propyl-1,3-thiazol-2-amine
CID 79774300
5-(4-methylpentoxymethyl)pyrazin-2-amine
CID 103058540
5-hexan-2-yloxypyridin-2-amine
CID 169188351
(5-octan-2-yloxypyrazin-2-yl)methanol
CID 107373154
5-(pentylsulfanylmethyl)pyrazin-2-amine
CID 107756456
2-ethoxytridecane
CID 54143367
3-(octan-2-yloxymethyl)pyridine-2-carbothioamide
CID 55128321

Frequently Asked Questions

What is the IUPAC name of 5-(octan-2-yloxymethyl)pyrazin-2-amine?
The IUPAC name of 5-(octan-2-yloxymethyl)pyrazin-2-amine (CID 103058562) is 5-(octan-2-yloxymethyl)pyrazin-2-amine.
What is the SMILES notation for 5-(octan-2-yloxymethyl)pyrazin-2-amine?
The canonical SMILES for 5-(octan-2-yloxymethyl)pyrazin-2-amine is CCCCCCC(C)OCc1cnc(N)cn1.
What is the InChIKey of 5-(octan-2-yloxymethyl)pyrazin-2-amine?
The InChIKey is NSUYWENJFWNJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-3-4-5-6-7-11(2)17-10-12-8-16-13(14)9-15-12/h8-9,11H,3-7,10H2,1-2H3,(H2,14,16).
What are the key properties of 5-(octan-2-yloxymethyl)pyrazin-2-amine?
5-(octan-2-yloxymethyl)pyrazin-2-amine has a molecular weight of 237.35 g/mol, XLogP of 2.93, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(octan-2-yloxymethyl)pyrazin-2-amine is sourced from PubChem (CID 103058562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).