N-[1-(chloromethyl)-4-methylcyclohexyl]-6-propoxypyrazin-2-amine

C15H24ClN3O — CID 65027994

IUPACN-[1-(chloromethyl)-4-methylcyclohexyl]-6-propoxypyrazin-2-amine
SMILESCCCOc1cncc(NC2(CCl)CCC(C)CC2)n1
InChIInChI=1S/C15H24ClN3O/c1-3-8-20-14-10-17-9-13(18-14)19-15(11-16)6-4-12(2)5-7-15/h9-10,12H,3-8,11H2,1-2H3,(H,18,19)
InChIKeyGVIUVNWAHARGIW-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.87
Rot. Bonds6

About N-[1-(chloromethyl)-4-methylcyclohexyl]-6-propoxypyrazin-2-amine

N-[1-(chloromethyl)-4-methylcyclohexyl]-6-propoxypyrazin-2-amine (PubChem CID 65027994) has the molecular formula C15H24ClN3O and a molecular weight of 297.83 g/mol. Its IUPAC name is N-[1-(chloromethyl)-4-methylcyclohexyl]-6-propoxypyrazin-2-amine.

Molecular Properties

Compound NameN-[1-(chloromethyl)-4-methylcyclohexyl]-6-propoxypyrazin-2-amine
PubChem CID65027994
Molecular FormulaC15H24ClN3O
Molecular Weight297.83 g/mol
Exact Mass297.16
IUPAC NameN-[1-(chloromethyl)-4-methylcyclohexyl]-6-propoxypyrazin-2-amine
SMILESCCCOc1cncc(NC2(CCl)CCC(C)CC2)n1
InChIInChI=1S/C15H24ClN3O/c1-3-8-20-14-10-17-9-13(18-14)19-15(11-16)6-4-12(2)5-7-15/h9-10,12H,3-8,11H2,1-2H3,(H,18,19)
InChIKeyGVIUVNWAHARGIW-UHFFFAOYSA-N
XLogP3.87
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 N-[1-(chloromethyl)-4-methylcyclohexyl]-6-propoxypyrazin-2-amine?
The IUPAC name of N-[1-(chloromethyl)-4-methylcyclohexyl]-6-propoxypyrazin-2-amine (CID 65027994) is N-[1-(chloromethyl)-4-methylcyclohexyl]-6-propoxypyrazin-2-amine.
What is the SMILES notation for N-[1-(chloromethyl)-4-methylcyclohexyl]-6-propoxypyrazin-2-amine?
The canonical SMILES for N-[1-(chloromethyl)-4-methylcyclohexyl]-6-propoxypyrazin-2-amine is CCCOc1cncc(NC2(CCl)CCC(C)CC2)n1.
What is the InChIKey of N-[1-(chloromethyl)-4-methylcyclohexyl]-6-propoxypyrazin-2-amine?
The InChIKey is GVIUVNWAHARGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O/c1-3-8-20-14-10-17-9-13(18-14)19-15(11-16)6-4-12(2)5-7-15/h9-10,12H,3-8,11H2,1-2H3,(H,18,19).
What are the key properties of N-[1-(chloromethyl)-4-methylcyclohexyl]-6-propoxypyrazin-2-amine?
N-[1-(chloromethyl)-4-methylcyclohexyl]-6-propoxypyrazin-2-amine has a molecular weight of 297.83 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(chloromethyl)-4-methylcyclohexyl]-6-propoxypyrazin-2-amine is sourced from PubChem (CID 65027994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).