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

C14H23N3O — CID 64549992

IUPAC1-[(3,6-dimethylpyrazin-2-yl)oxymethyl]cycloheptan-1-amine
SMILESCc1cnc(C)c(OCC2(N)CCCCCC2)n1
InChIInChI=1S/C14H23N3O/c1-11-9-16-12(2)13(17-11)18-10-14(15)7-5-3-4-6-8-14/h9H,3-8,10,15H2,1-2H3
InChIKeyVWWSOSYIGADTAD-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.52
Rot. Bonds3

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

1-[(3,6-dimethylpyrazin-2-yl)oxymethyl]cycloheptan-1-amine (PubChem CID 64549992) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-[(3,6-dimethylpyrazin-2-yl)oxymethyl]cycloheptan-1-amine.

Molecular Properties

Compound Name1-[(3,6-dimethylpyrazin-2-yl)oxymethyl]cycloheptan-1-amine
PubChem CID64549992
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name1-[(3,6-dimethylpyrazin-2-yl)oxymethyl]cycloheptan-1-amine
SMILESCc1cnc(C)c(OCC2(N)CCCCCC2)n1
InChIInChI=1S/C14H23N3O/c1-11-9-16-12(2)13(17-11)18-10-14(15)7-5-3-4-6-8-14/h9H,3-8,10,15H2,1-2H3
InChIKeyVWWSOSYIGADTAD-UHFFFAOYSA-N
XLogP2.52
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.52
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]cycloheptan-1-amine?
The IUPAC name of 1-[(3,6-dimethylpyrazin-2-yl)oxymethyl]cycloheptan-1-amine (CID 64549992) is 1-[(3,6-dimethylpyrazin-2-yl)oxymethyl]cycloheptan-1-amine.
What is the SMILES notation for 1-[(3,6-dimethylpyrazin-2-yl)oxymethyl]cycloheptan-1-amine?
The canonical SMILES for 1-[(3,6-dimethylpyrazin-2-yl)oxymethyl]cycloheptan-1-amine is Cc1cnc(C)c(OCC2(N)CCCCCC2)n1.
What is the InChIKey of 1-[(3,6-dimethylpyrazin-2-yl)oxymethyl]cycloheptan-1-amine?
The InChIKey is VWWSOSYIGADTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-11-9-16-12(2)13(17-11)18-10-14(15)7-5-3-4-6-8-14/h9H,3-8,10,15H2,1-2H3.
What are the key properties of 1-[(3,6-dimethylpyrazin-2-yl)oxymethyl]cycloheptan-1-amine?
1-[(3,6-dimethylpyrazin-2-yl)oxymethyl]cycloheptan-1-amine has a molecular weight of 249.36 g/mol, XLogP of 2.52, 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]cycloheptan-1-amine is sourced from PubChem (CID 64549992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).