6-(chloromethyl)-N-(2-ethoxyethyl)-N-ethylpyrazin-2-amine

C11H18ClN3O — CID 66465515

IUPAC6-(chloromethyl)-N-(2-ethoxyethyl)-N-ethylpyrazin-2-amine
SMILESCCOCCN(CC)c1cncc(CCl)n1
InChIInChI=1S/C11H18ClN3O/c1-3-15(5-6-16-4-2)11-9-13-8-10(7-12)14-11/h8-9H,3-7H2,1-2H3
InChIKeyWLYGSTVRDDUVLX-UHFFFAOYSA-N
MW243.74 g/mol
LogP2.08
Rot. Bonds7

About 6-(chloromethyl)-N-(2-ethoxyethyl)-N-ethylpyrazin-2-amine

6-(chloromethyl)-N-(2-ethoxyethyl)-N-ethylpyrazin-2-amine (PubChem CID 66465515) has the molecular formula C11H18ClN3O and a molecular weight of 243.74 g/mol. Its IUPAC name is 6-(chloromethyl)-N-(2-ethoxyethyl)-N-ethylpyrazin-2-amine.

Molecular Properties

Compound Name6-(chloromethyl)-N-(2-ethoxyethyl)-N-ethylpyrazin-2-amine
PubChem CID66465515
Molecular FormulaC11H18ClN3O
Molecular Weight243.74 g/mol
Exact Mass243.11
IUPAC Name6-(chloromethyl)-N-(2-ethoxyethyl)-N-ethylpyrazin-2-amine
SMILESCCOCCN(CC)c1cncc(CCl)n1
InChIInChI=1S/C11H18ClN3O/c1-3-15(5-6-16-4-2)11-9-13-8-10(7-12)14-11/h8-9H,3-7H2,1-2H3
InChIKeyWLYGSTVRDDUVLX-UHFFFAOYSA-N
XLogP2.08
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(chloromethyl)-N-ethyl-N-(2-ethylbutyl)pyrazin-2-amine
CID 66467557
2-N,2-N-bis(2-ethoxyethyl)pyrazine-2,6-diamine
CID 82952490
6-(chloromethyl)-N-(cyclobutylmethyl)-N-ethylpyrazin-2-amine
CID 107400699
6-(chloromethyl)-N,N-bis(2-ethoxyethyl)pyridazin-3-amine
CID 82961078
2-(chloromethyl)-N-(2-ethoxyethyl)-N-ethylpyridin-4-amine
CID 63691033
2-N-(2-ethoxyethyl)-2-N-ethyl-4-methylpyridine-2,5-diamine
CID 79175858
6-N-(2-ethoxyethyl)-6-N-ethylpyridine-2,6-diamine
CID 80653424
6-N-(2-ethoxyethyl)-6-N-ethyl-2-N-methylpyridine-2,6-diamine
CID 80834417
5-chloro-N-(2-ethoxyethyl)-N-ethyl-4-(methylaminomethyl)pyridin-2-amine
CID 114926489
methyl 5-[2-ethoxyethyl(ethyl)amino]pyrazine-2-carboxylate
CID 114059804
4-chloro-5-(chloromethyl)-N-(2-ethoxyethyl)-N-ethyl-1,3-thiazol-2-amine
CID 80687134
6-chloro-2-N-(2-ethoxyethyl)-2-N,4-N,4-N-triethyl-1,3,5-triazine-2,4-diamine
CID 63692736

Frequently Asked Questions

What is the IUPAC name of 6-(chloromethyl)-N-(2-ethoxyethyl)-N-ethylpyrazin-2-amine?
The IUPAC name of 6-(chloromethyl)-N-(2-ethoxyethyl)-N-ethylpyrazin-2-amine (CID 66465515) is 6-(chloromethyl)-N-(2-ethoxyethyl)-N-ethylpyrazin-2-amine.
What is the SMILES notation for 6-(chloromethyl)-N-(2-ethoxyethyl)-N-ethylpyrazin-2-amine?
The canonical SMILES for 6-(chloromethyl)-N-(2-ethoxyethyl)-N-ethylpyrazin-2-amine is CCOCCN(CC)c1cncc(CCl)n1.
What is the InChIKey of 6-(chloromethyl)-N-(2-ethoxyethyl)-N-ethylpyrazin-2-amine?
The InChIKey is WLYGSTVRDDUVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O/c1-3-15(5-6-16-4-2)11-9-13-8-10(7-12)14-11/h8-9H,3-7H2,1-2H3.
What are the key properties of 6-(chloromethyl)-N-(2-ethoxyethyl)-N-ethylpyrazin-2-amine?
6-(chloromethyl)-N-(2-ethoxyethyl)-N-ethylpyrazin-2-amine has a molecular weight of 243.74 g/mol, XLogP of 2.08, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(chloromethyl)-N-(2-ethoxyethyl)-N-ethylpyrazin-2-amine is sourced from PubChem (CID 66465515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).