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

C13H22N4 — CID 80835332

IUPACN-ethyl-6-(2-methylazepan-1-yl)pyrazin-2-amine
SMILESCCNc1cncc(N2CCCCCC2C)n1
InChIInChI=1S/C13H22N4/c1-3-15-12-9-14-10-13(16-12)17-8-6-4-5-7-11(17)2/h9-11H,3-8H2,1-2H3,(H,15,16)
InChIKeyPXHZDWHHAFASLU-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.68
Rot. Bonds3

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

N-ethyl-6-(2-methylazepan-1-yl)pyrazin-2-amine (PubChem CID 80835332) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is N-ethyl-6-(2-methylazepan-1-yl)pyrazin-2-amine.

Molecular Properties

Compound NameN-ethyl-6-(2-methylazepan-1-yl)pyrazin-2-amine
PubChem CID80835332
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC NameN-ethyl-6-(2-methylazepan-1-yl)pyrazin-2-amine
SMILESCCNc1cncc(N2CCCCCC2C)n1
InChIInChI=1S/C13H22N4/c1-3-15-12-9-14-10-13(16-12)17-8-6-4-5-7-11(17)2/h9-11H,3-8H2,1-2H3,(H,15,16)
InChIKeyPXHZDWHHAFASLU-UHFFFAOYSA-N
XLogP2.68
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(2-methylazepan-1-yl)pyrazin-2-amine?
The IUPAC name of N-ethyl-6-(2-methylazepan-1-yl)pyrazin-2-amine (CID 80835332) is N-ethyl-6-(2-methylazepan-1-yl)pyrazin-2-amine.
What is the SMILES notation for N-ethyl-6-(2-methylazepan-1-yl)pyrazin-2-amine?
The canonical SMILES for N-ethyl-6-(2-methylazepan-1-yl)pyrazin-2-amine is CCNc1cncc(N2CCCCCC2C)n1.
What is the InChIKey of N-ethyl-6-(2-methylazepan-1-yl)pyrazin-2-amine?
The InChIKey is PXHZDWHHAFASLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-3-15-12-9-14-10-13(16-12)17-8-6-4-5-7-11(17)2/h9-11H,3-8H2,1-2H3,(H,15,16).
What are the key properties of N-ethyl-6-(2-methylazepan-1-yl)pyrazin-2-amine?
N-ethyl-6-(2-methylazepan-1-yl)pyrazin-2-amine has a molecular weight of 234.35 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(2-methylazepan-1-yl)pyrazin-2-amine is sourced from PubChem (CID 80835332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).