6,6-dimethylpyrido[3,4-c]azepine

C11H12N2 — CID 142944786

IUPAC6,6-dimethylpyrido[3,4-c]azepine
SMILESCC1(C)C=NC=c2cnccc2=C1
InChIInChI=1S/C11H12N2/c1-11(2)5-9-3-4-12-6-10(9)7-13-8-11/h3-8H,1-2H3
InChIKeyRRODEYHKHHPFPK-UHFFFAOYSA-N
MW172.23 g/mol
LogP0.71
Rot. Bonds

About 6,6-dimethylpyrido[3,4-c]azepine

6,6-dimethylpyrido[3,4-c]azepine (PubChem CID 142944786) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 6,6-dimethylpyrido[3,4-c]azepine.

Molecular Properties

Compound Name6,6-dimethylpyrido[3,4-c]azepine
PubChem CID142944786
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC Name6,6-dimethylpyrido[3,4-c]azepine
SMILESCC1(C)C=NC=c2cnccc2=C1
InChIInChI=1S/C11H12N2/c1-11(2)5-9-3-4-12-6-10(9)7-13-8-11/h3-8H,1-2H3
InChIKeyRRODEYHKHHPFPK-UHFFFAOYSA-N
XLogP0.71
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethylpyrido[3,4-c]azepine?
The IUPAC name of 6,6-dimethylpyrido[3,4-c]azepine (CID 142944786) is 6,6-dimethylpyrido[3,4-c]azepine.
What is the SMILES notation for 6,6-dimethylpyrido[3,4-c]azepine?
The canonical SMILES for 6,6-dimethylpyrido[3,4-c]azepine is CC1(C)C=NC=c2cnccc2=C1.
What is the InChIKey of 6,6-dimethylpyrido[3,4-c]azepine?
The InChIKey is RRODEYHKHHPFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2/c1-11(2)5-9-3-4-12-6-10(9)7-13-8-11/h3-8H,1-2H3.
What are the key properties of 6,6-dimethylpyrido[3,4-c]azepine?
6,6-dimethylpyrido[3,4-c]azepine has a molecular weight of 172.23 g/mol, XLogP of 0.71, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethylpyrido[3,4-c]azepine is sourced from PubChem (CID 142944786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).