1-[(6-methoxypyrazin-2-yl)oxymethyl]cyclohexan-1-amine

C12H19N3O2 — CID 64574686

IUPAC1-[(6-methoxypyrazin-2-yl)oxymethyl]cyclohexan-1-amine
SMILESCOc1cncc(OCC2(N)CCCCC2)n1
InChIInChI=1S/C12H19N3O2/c1-16-10-7-14-8-11(15-10)17-9-12(13)5-3-2-4-6-12/h7-8H,2-6,9,13H2,1H3
InChIKeyPONGLBHZPQPPLV-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.53
Rot. Bonds4

About 1-[(6-methoxypyrazin-2-yl)oxymethyl]cyclohexan-1-amine

1-[(6-methoxypyrazin-2-yl)oxymethyl]cyclohexan-1-amine (PubChem CID 64574686) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-[(6-methoxypyrazin-2-yl)oxymethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[(6-methoxypyrazin-2-yl)oxymethyl]cyclohexan-1-amine
PubChem CID64574686
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name1-[(6-methoxypyrazin-2-yl)oxymethyl]cyclohexan-1-amine
SMILESCOc1cncc(OCC2(N)CCCCC2)n1
InChIInChI=1S/C12H19N3O2/c1-16-10-7-14-8-11(15-10)17-9-12(13)5-3-2-4-6-12/h7-8H,2-6,9,13H2,1H3
InChIKeyPONGLBHZPQPPLV-UHFFFAOYSA-N
XLogP1.53
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-methoxypyrazin-2-yl)oxymethyl]cyclohexan-1-amine?
The IUPAC name of 1-[(6-methoxypyrazin-2-yl)oxymethyl]cyclohexan-1-amine (CID 64574686) is 1-[(6-methoxypyrazin-2-yl)oxymethyl]cyclohexan-1-amine.
What is the SMILES notation for 1-[(6-methoxypyrazin-2-yl)oxymethyl]cyclohexan-1-amine?
The canonical SMILES for 1-[(6-methoxypyrazin-2-yl)oxymethyl]cyclohexan-1-amine is COc1cncc(OCC2(N)CCCCC2)n1.
What is the InChIKey of 1-[(6-methoxypyrazin-2-yl)oxymethyl]cyclohexan-1-amine?
The InChIKey is PONGLBHZPQPPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-16-10-7-14-8-11(15-10)17-9-12(13)5-3-2-4-6-12/h7-8H,2-6,9,13H2,1H3.
What are the key properties of 1-[(6-methoxypyrazin-2-yl)oxymethyl]cyclohexan-1-amine?
1-[(6-methoxypyrazin-2-yl)oxymethyl]cyclohexan-1-amine has a molecular weight of 237.30 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methoxypyrazin-2-yl)oxymethyl]cyclohexan-1-amine is sourced from PubChem (CID 64574686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).