6-(chloromethyl)-N-methyl-N-pentan-2-ylpyrazin-2-amine

C11H18ClN3 — CID 66468006

IUPAC6-(chloromethyl)-N-methyl-N-pentan-2-ylpyrazin-2-amine
SMILESCCCC(C)N(C)c1cncc(CCl)n1
InChIInChI=1S/C11H18ClN3/c1-4-5-9(2)15(3)11-8-13-7-10(6-12)14-11/h7-9H,4-6H2,1-3H3
InChIKeyLMOCBUQOARCJID-UHFFFAOYSA-N
MW227.74 g/mol
LogP2.84
Rot. Bonds5

About 6-(chloromethyl)-N-methyl-N-pentan-2-ylpyrazin-2-amine

6-(chloromethyl)-N-methyl-N-pentan-2-ylpyrazin-2-amine (PubChem CID 66468006) has the molecular formula C11H18ClN3 and a molecular weight of 227.74 g/mol. Its IUPAC name is 6-(chloromethyl)-N-methyl-N-pentan-2-ylpyrazin-2-amine.

Molecular Properties

Compound Name6-(chloromethyl)-N-methyl-N-pentan-2-ylpyrazin-2-amine
PubChem CID66468006
Molecular FormulaC11H18ClN3
Molecular Weight227.74 g/mol
Exact Mass227.12
IUPAC Name6-(chloromethyl)-N-methyl-N-pentan-2-ylpyrazin-2-amine
SMILESCCCC(C)N(C)c1cncc(CCl)n1
InChIInChI=1S/C11H18ClN3/c1-4-5-9(2)15(3)11-8-13-7-10(6-12)14-11/h7-9H,4-6H2,1-3H3
InChIKeyLMOCBUQOARCJID-UHFFFAOYSA-N
XLogP2.84
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.74
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(chloromethyl)-N-methyl-N-pentan-2-ylpyrazin-2-amine?
The IUPAC name of 6-(chloromethyl)-N-methyl-N-pentan-2-ylpyrazin-2-amine (CID 66468006) is 6-(chloromethyl)-N-methyl-N-pentan-2-ylpyrazin-2-amine.
What is the SMILES notation for 6-(chloromethyl)-N-methyl-N-pentan-2-ylpyrazin-2-amine?
The canonical SMILES for 6-(chloromethyl)-N-methyl-N-pentan-2-ylpyrazin-2-amine is CCCC(C)N(C)c1cncc(CCl)n1.
What is the InChIKey of 6-(chloromethyl)-N-methyl-N-pentan-2-ylpyrazin-2-amine?
The InChIKey is LMOCBUQOARCJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3/c1-4-5-9(2)15(3)11-8-13-7-10(6-12)14-11/h7-9H,4-6H2,1-3H3.
What are the key properties of 6-(chloromethyl)-N-methyl-N-pentan-2-ylpyrazin-2-amine?
6-(chloromethyl)-N-methyl-N-pentan-2-ylpyrazin-2-amine has a molecular weight of 227.74 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(chloromethyl)-N-methyl-N-pentan-2-ylpyrazin-2-amine is sourced from PubChem (CID 66468006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).