6-(chloromethyl)-N-ethyl-N-(2-ethylbutyl)pyrazin-2-amine

C13H22ClN3 — CID 66467557

IUPAC6-(chloromethyl)-N-ethyl-N-(2-ethylbutyl)pyrazin-2-amine
SMILESCCC(CC)CN(CC)c1cncc(CCl)n1
InChIInChI=1S/C13H22ClN3/c1-4-11(5-2)10-17(6-3)13-9-15-8-12(7-14)16-13/h8-9,11H,4-7,10H2,1-3H3
InChIKeyHVYCLIUUDFHTAC-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.48
Rot. Bonds7

About 6-(chloromethyl)-N-ethyl-N-(2-ethylbutyl)pyrazin-2-amine

6-(chloromethyl)-N-ethyl-N-(2-ethylbutyl)pyrazin-2-amine (PubChem CID 66467557) has the molecular formula C13H22ClN3 and a molecular weight of 255.79 g/mol. Its IUPAC name is 6-(chloromethyl)-N-ethyl-N-(2-ethylbutyl)pyrazin-2-amine.

Molecular Properties

Compound Name6-(chloromethyl)-N-ethyl-N-(2-ethylbutyl)pyrazin-2-amine
PubChem CID66467557
Molecular FormulaC13H22ClN3
Molecular Weight255.79 g/mol
Exact Mass255.15
IUPAC Name6-(chloromethyl)-N-ethyl-N-(2-ethylbutyl)pyrazin-2-amine
SMILESCCC(CC)CN(CC)c1cncc(CCl)n1
InChIInChI=1S/C13H22ClN3/c1-4-11(5-2)10-17(6-3)13-9-15-8-12(7-14)16-13/h8-9,11H,4-7,10H2,1-3H3
InChIKeyHVYCLIUUDFHTAC-UHFFFAOYSA-N
XLogP3.48
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(chloromethyl)-N-ethyl-N-(2-ethylbutyl)pyrazin-2-amine
CID 107373392
6-(chloromethyl)-N-(cyclobutylmethyl)-N-ethylpyrazin-2-amine
CID 107400699
6-(chloromethyl)-N-(2-ethoxyethyl)-N-ethylpyrazin-2-amine
CID 66465515
6-(chloromethyl)-N-methyl-N-pentan-2-ylpyrazin-2-amine
CID 66468006
6-(chloromethyl)-N-methyl-N-(3-methylbutan-2-yl)pyrazin-2-amine
CID 66467554
2-chloro-6-[ethyl(2-ethylbutyl)amino]pyridine-4-carbonitrile
CID 83074738
2-chloro-N-ethyl-N-(2-ethylbutyl)pyrimidin-4-amine
CID 62342460
2-N-ethyl-6-N-methyl-2-N-(2-methylbutyl)pyrazine-2,6-diamine
CID 80850264
6-N-ethyl-6-N-(2-ethylbutyl)pyridine-2,6-diamine
CID 80648336
N-ethyl-6-hydrazinyl-N-(2-methylbutyl)pyrazin-2-amine
CID 80928893
N-ethyl-N-(2-ethylbutyl)-5-[(propan-2-ylamino)methyl]pyrazin-2-amine
CID 107379566
6-(chloromethyl)-N-methyl-N-(pyridin-4-ylmethyl)pyrazin-2-amine
CID 66468007

Frequently Asked Questions

What is the IUPAC name of 6-(chloromethyl)-N-ethyl-N-(2-ethylbutyl)pyrazin-2-amine?
The IUPAC name of 6-(chloromethyl)-N-ethyl-N-(2-ethylbutyl)pyrazin-2-amine (CID 66467557) is 6-(chloromethyl)-N-ethyl-N-(2-ethylbutyl)pyrazin-2-amine.
What is the SMILES notation for 6-(chloromethyl)-N-ethyl-N-(2-ethylbutyl)pyrazin-2-amine?
The canonical SMILES for 6-(chloromethyl)-N-ethyl-N-(2-ethylbutyl)pyrazin-2-amine is CCC(CC)CN(CC)c1cncc(CCl)n1.
What is the InChIKey of 6-(chloromethyl)-N-ethyl-N-(2-ethylbutyl)pyrazin-2-amine?
The InChIKey is HVYCLIUUDFHTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3/c1-4-11(5-2)10-17(6-3)13-9-15-8-12(7-14)16-13/h8-9,11H,4-7,10H2,1-3H3.
What are the key properties of 6-(chloromethyl)-N-ethyl-N-(2-ethylbutyl)pyrazin-2-amine?
6-(chloromethyl)-N-ethyl-N-(2-ethylbutyl)pyrazin-2-amine has a molecular weight of 255.79 g/mol, XLogP of 3.48, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(chloromethyl)-N-ethyl-N-(2-ethylbutyl)pyrazin-2-amine is sourced from PubChem (CID 66467557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).