5-(hexoxymethyl)-N-methylpyrazin-2-amine

C12H21N3O — CID 103058547

IUPAC5-(hexoxymethyl)-N-methylpyrazin-2-amine
SMILESCCCCCCOCc1cnc(NC)cn1
InChIInChI=1S/C12H21N3O/c1-3-4-5-6-7-16-10-11-8-15-12(13-2)9-14-11/h8-9H,3-7,10H2,1-2H3,(H,13,15)
InChIKeyGNEOZZRIGZMXGM-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.62
Rot. Bonds8

About 5-(hexoxymethyl)-N-methylpyrazin-2-amine

5-(hexoxymethyl)-N-methylpyrazin-2-amine (PubChem CID 103058547) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 5-(hexoxymethyl)-N-methylpyrazin-2-amine.

Molecular Properties

Compound Name5-(hexoxymethyl)-N-methylpyrazin-2-amine
PubChem CID103058547
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name5-(hexoxymethyl)-N-methylpyrazin-2-amine
SMILESCCCCCCOCc1cnc(NC)cn1
InChIInChI=1S/C12H21N3O/c1-3-4-5-6-7-16-10-11-8-15-12(13-2)9-14-11/h8-9H,3-7,10H2,1-2H3,(H,13,15)
InChIKeyGNEOZZRIGZMXGM-UHFFFAOYSA-N
XLogP2.62
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(3,3-dimethylbutoxymethyl)-N-methylpyrazin-2-amine
CID 103059229
5-(2-butoxyethoxymethyl)-N-propylpyrazin-2-amine
CID 103058513
N-propyl-5-(4,4,4-trifluorobutoxymethyl)pyrazin-2-amine
CID 103059360
5-[(dibutylamino)methyl]-N-methylpyrazin-2-amine
CID 103055563
5-(3,3-dimethylbutoxymethyl)-N-propylpyrazin-2-amine
CID 103059228
5-[(5-chloro-3-pyridinyl)oxymethyl]-N-methylpyrazin-2-amine
CID 103059157
N-methyl-5-[(2,4,6-trichlorophenoxy)methyl]pyrazin-2-amine
CID 103058486
2-(butoxymethyl)pyrazine
CID 54527818
5-[(2-bromophenoxy)methyl]-N-methylpyrazin-2-amine
CID 103058498
5-[(2-chlorophenoxy)methyl]-N-methylpyrazin-2-amine
CID 103058191
5-[(3,4-dichlorophenoxy)methyl]-N-methylpyrazin-2-amine
CID 103058876
3-(pentoxymethyl)-1,2,5-oxadiazole
CID 173195197

Frequently Asked Questions

What is the IUPAC name of 5-(hexoxymethyl)-N-methylpyrazin-2-amine?
The IUPAC name of 5-(hexoxymethyl)-N-methylpyrazin-2-amine (CID 103058547) is 5-(hexoxymethyl)-N-methylpyrazin-2-amine.
What is the SMILES notation for 5-(hexoxymethyl)-N-methylpyrazin-2-amine?
The canonical SMILES for 5-(hexoxymethyl)-N-methylpyrazin-2-amine is CCCCCCOCc1cnc(NC)cn1.
What is the InChIKey of 5-(hexoxymethyl)-N-methylpyrazin-2-amine?
The InChIKey is GNEOZZRIGZMXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-3-4-5-6-7-16-10-11-8-15-12(13-2)9-14-11/h8-9H,3-7,10H2,1-2H3,(H,13,15).
What are the key properties of 5-(hexoxymethyl)-N-methylpyrazin-2-amine?
5-(hexoxymethyl)-N-methylpyrazin-2-amine has a molecular weight of 223.32 g/mol, XLogP of 2.62, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hexoxymethyl)-N-methylpyrazin-2-amine is sourced from PubChem (CID 103058547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).