1-[(3,6-dimethylpyrazin-2-yl)oxymethyl]cyclopentan-1-amine

C12H19N3O — CID 64573324

IUPAC1-[(3,6-dimethylpyrazin-2-yl)oxymethyl]cyclopentan-1-amine
SMILESCc1cnc(C)c(OCC2(N)CCCC2)n1
InChIInChI=1S/C12H19N3O/c1-9-7-14-10(2)11(15-9)16-8-12(13)5-3-4-6-12/h7H,3-6,8,13H2,1-2H3
InChIKeyHHFPSIVFTHCIJQ-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.74
Rot. Bonds3

About 1-[(3,6-dimethylpyrazin-2-yl)oxymethyl]cyclopentan-1-amine

1-[(3,6-dimethylpyrazin-2-yl)oxymethyl]cyclopentan-1-amine (PubChem CID 64573324) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-[(3,6-dimethylpyrazin-2-yl)oxymethyl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[(3,6-dimethylpyrazin-2-yl)oxymethyl]cyclopentan-1-amine
PubChem CID64573324
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name1-[(3,6-dimethylpyrazin-2-yl)oxymethyl]cyclopentan-1-amine
SMILESCc1cnc(C)c(OCC2(N)CCCC2)n1
InChIInChI=1S/C12H19N3O/c1-9-7-14-10(2)11(15-9)16-8-12(13)5-3-4-6-12/h7H,3-6,8,13H2,1-2H3
InChIKeyHHFPSIVFTHCIJQ-UHFFFAOYSA-N
XLogP1.74
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,6-dimethylpyrazin-2-yl)oxymethyl]cyclopentan-1-amine?
The IUPAC name of 1-[(3,6-dimethylpyrazin-2-yl)oxymethyl]cyclopentan-1-amine (CID 64573324) is 1-[(3,6-dimethylpyrazin-2-yl)oxymethyl]cyclopentan-1-amine.
What is the SMILES notation for 1-[(3,6-dimethylpyrazin-2-yl)oxymethyl]cyclopentan-1-amine?
The canonical SMILES for 1-[(3,6-dimethylpyrazin-2-yl)oxymethyl]cyclopentan-1-amine is Cc1cnc(C)c(OCC2(N)CCCC2)n1.
What is the InChIKey of 1-[(3,6-dimethylpyrazin-2-yl)oxymethyl]cyclopentan-1-amine?
The InChIKey is HHFPSIVFTHCIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-9-7-14-10(2)11(15-9)16-8-12(13)5-3-4-6-12/h7H,3-6,8,13H2,1-2H3.
What are the key properties of 1-[(3,6-dimethylpyrazin-2-yl)oxymethyl]cyclopentan-1-amine?
1-[(3,6-dimethylpyrazin-2-yl)oxymethyl]cyclopentan-1-amine has a molecular weight of 221.30 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,6-dimethylpyrazin-2-yl)oxymethyl]cyclopentan-1-amine is sourced from PubChem (CID 64573324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).