7-ethyl-7-methylpyrido[3,2-b]azepine

C12H14N2 — CID 155312347

IUPAC7-ethyl-7-methylpyrido[3,2-b]azepine
SMILESCCC1(C)C=Cc2ncccc2N=C1
InChIInChI=1S/C12H14N2/c1-3-12(2)7-6-11-10(14-9-12)5-4-8-13-11/h4-9H,3H2,1-2H3
InChIKeyUOGYFNBIGKCNNG-UHFFFAOYSA-N
MW186.26 g/mol
LogP3.23
Rot. Bonds1

About 7-ethyl-7-methylpyrido[3,2-b]azepine

7-ethyl-7-methylpyrido[3,2-b]azepine (PubChem CID 155312347) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 7-ethyl-7-methylpyrido[3,2-b]azepine.

Molecular Properties

Compound Name7-ethyl-7-methylpyrido[3,2-b]azepine
PubChem CID155312347
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name7-ethyl-7-methylpyrido[3,2-b]azepine
SMILESCCC1(C)C=Cc2ncccc2N=C1
InChIInChI=1S/C12H14N2/c1-3-12(2)7-6-11-10(14-9-12)5-4-8-13-11/h4-9H,3H2,1-2H3
InChIKeyUOGYFNBIGKCNNG-UHFFFAOYSA-N
XLogP3.23
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-7-methylpyrido[3,2-b]azepine?
The IUPAC name of 7-ethyl-7-methylpyrido[3,2-b]azepine (CID 155312347) is 7-ethyl-7-methylpyrido[3,2-b]azepine.
What is the SMILES notation for 7-ethyl-7-methylpyrido[3,2-b]azepine?
The canonical SMILES for 7-ethyl-7-methylpyrido[3,2-b]azepine is CCC1(C)C=Cc2ncccc2N=C1.
What is the InChIKey of 7-ethyl-7-methylpyrido[3,2-b]azepine?
The InChIKey is UOGYFNBIGKCNNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-3-12(2)7-6-11-10(14-9-12)5-4-8-13-11/h4-9H,3H2,1-2H3.
What are the key properties of 7-ethyl-7-methylpyrido[3,2-b]azepine?
7-ethyl-7-methylpyrido[3,2-b]azepine has a molecular weight of 186.26 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-7-methylpyrido[3,2-b]azepine is sourced from PubChem (CID 155312347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).