6-(2-methylazepan-1-yl)pyrazin-2-amine

C11H18N4 — CID 80647238

IUPAC6-(2-methylazepan-1-yl)pyrazin-2-amine
SMILESCC1CCCCCN1c1cncc(N)n1
InChIInChI=1S/C11H18N4/c1-9-5-3-2-4-6-15(9)11-8-13-7-10(12)14-11/h7-9H,2-6H2,1H3,(H2,12,14)
InChIKeyHIKANECCKQOZKK-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.83
Rot. Bonds1

About 6-(2-methylazepan-1-yl)pyrazin-2-amine

6-(2-methylazepan-1-yl)pyrazin-2-amine (PubChem CID 80647238) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is 6-(2-methylazepan-1-yl)pyrazin-2-amine.

Molecular Properties

Compound Name6-(2-methylazepan-1-yl)pyrazin-2-amine
PubChem CID80647238
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name6-(2-methylazepan-1-yl)pyrazin-2-amine
SMILESCC1CCCCCN1c1cncc(N)n1
InChIInChI=1S/C11H18N4/c1-9-5-3-2-4-6-15(9)11-8-13-7-10(12)14-11/h7-9H,2-6H2,1H3,(H2,12,14)
InChIKeyHIKANECCKQOZKK-UHFFFAOYSA-N
XLogP1.83
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methylazepan-1-yl)pyrazin-2-amine?
The IUPAC name of 6-(2-methylazepan-1-yl)pyrazin-2-amine (CID 80647238) is 6-(2-methylazepan-1-yl)pyrazin-2-amine.
What is the SMILES notation for 6-(2-methylazepan-1-yl)pyrazin-2-amine?
The canonical SMILES for 6-(2-methylazepan-1-yl)pyrazin-2-amine is CC1CCCCCN1c1cncc(N)n1.
What is the InChIKey of 6-(2-methylazepan-1-yl)pyrazin-2-amine?
The InChIKey is HIKANECCKQOZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c1-9-5-3-2-4-6-15(9)11-8-13-7-10(12)14-11/h7-9H,2-6H2,1H3,(H2,12,14).
What are the key properties of 6-(2-methylazepan-1-yl)pyrazin-2-amine?
6-(2-methylazepan-1-yl)pyrazin-2-amine has a molecular weight of 206.29 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylazepan-1-yl)pyrazin-2-amine is sourced from PubChem (CID 80647238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).