8-ethyl-6,6-dimethyl-7,8,9,10-tetrahydro-4H-pyrazino[1,2-a]azepine

C13H22N2 — CID 70961495

IUPAC8-ethyl-6,6-dimethyl-7,8,9,10-tetrahydro-4H-pyrazino[1,2-a]azepine
SMILESCCC1CCC2=CN=CCN2C(C)(C)C1
InChIInChI=1S/C13H22N2/c1-4-11-5-6-12-10-14-7-8-15(12)13(2,3)9-11/h7,10-11H,4-6,8-9H2,1-3H3
InChIKeyJXJXCUBXQASTNT-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.20
Rot. Bonds1

About 8-ethyl-6,6-dimethyl-7,8,9,10-tetrahydro-4H-pyrazino[1,2-a]azepine

8-ethyl-6,6-dimethyl-7,8,9,10-tetrahydro-4H-pyrazino[1,2-a]azepine (PubChem CID 70961495) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 8-ethyl-6,6-dimethyl-7,8,9,10-tetrahydro-4H-pyrazino[1,2-a]azepine.

Molecular Properties

Compound Name8-ethyl-6,6-dimethyl-7,8,9,10-tetrahydro-4H-pyrazino[1,2-a]azepine
PubChem CID70961495
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name8-ethyl-6,6-dimethyl-7,8,9,10-tetrahydro-4H-pyrazino[1,2-a]azepine
SMILESCCC1CCC2=CN=CCN2C(C)(C)C1
InChIInChI=1S/C13H22N2/c1-4-11-5-6-12-10-14-7-8-15(12)13(2,3)9-11/h7,10-11H,4-6,8-9H2,1-3H3
InChIKeyJXJXCUBXQASTNT-UHFFFAOYSA-N
XLogP3.20
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-6,6-dimethyl-7,8,9,10-tetrahydro-4H-pyrazino[1,2-a]azepine?
The IUPAC name of 8-ethyl-6,6-dimethyl-7,8,9,10-tetrahydro-4H-pyrazino[1,2-a]azepine (CID 70961495) is 8-ethyl-6,6-dimethyl-7,8,9,10-tetrahydro-4H-pyrazino[1,2-a]azepine.
What is the SMILES notation for 8-ethyl-6,6-dimethyl-7,8,9,10-tetrahydro-4H-pyrazino[1,2-a]azepine?
The canonical SMILES for 8-ethyl-6,6-dimethyl-7,8,9,10-tetrahydro-4H-pyrazino[1,2-a]azepine is CCC1CCC2=CN=CCN2C(C)(C)C1.
What is the InChIKey of 8-ethyl-6,6-dimethyl-7,8,9,10-tetrahydro-4H-pyrazino[1,2-a]azepine?
The InChIKey is JXJXCUBXQASTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-4-11-5-6-12-10-14-7-8-15(12)13(2,3)9-11/h7,10-11H,4-6,8-9H2,1-3H3.
What are the key properties of 8-ethyl-6,6-dimethyl-7,8,9,10-tetrahydro-4H-pyrazino[1,2-a]azepine?
8-ethyl-6,6-dimethyl-7,8,9,10-tetrahydro-4H-pyrazino[1,2-a]azepine has a molecular weight of 206.33 g/mol, XLogP of 3.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-6,6-dimethyl-7,8,9,10-tetrahydro-4H-pyrazino[1,2-a]azepine is sourced from PubChem (CID 70961495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).