7,7-dimethyl-1,2,3,4-tetrahydropyrido[4,3-c]azepine

C11H16N2 — CID 89334721

IUPAC7,7-dimethyl-1,2,3,4-tetrahydropyrido[4,3-c]azepine
SMILESCC1(C)C=CC2=C(C=N1)CCNC2
InChIInChI=1S/C11H16N2/c1-11(2)5-3-9-7-12-6-4-10(9)8-13-11/h3,5,8,12H,4,6-7H2,1-2H3
InChIKeyZEGCDARWGIXQCL-UHFFFAOYSA-N
MW176.26 g/mol
LogP1.70
Rot. Bonds

About 7,7-dimethyl-1,2,3,4-tetrahydropyrido[4,3-c]azepine

7,7-dimethyl-1,2,3,4-tetrahydropyrido[4,3-c]azepine (PubChem CID 89334721) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 7,7-dimethyl-1,2,3,4-tetrahydropyrido[4,3-c]azepine.

Molecular Properties

Compound Name7,7-dimethyl-1,2,3,4-tetrahydropyrido[4,3-c]azepine
PubChem CID89334721
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name7,7-dimethyl-1,2,3,4-tetrahydropyrido[4,3-c]azepine
SMILESCC1(C)C=CC2=C(C=N1)CCNC2
InChIInChI=1S/C11H16N2/c1-11(2)5-3-9-7-12-6-4-10(9)8-13-11/h3,5,8,12H,4,6-7H2,1-2H3
InChIKeyZEGCDARWGIXQCL-UHFFFAOYSA-N
XLogP1.70
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7,7-dimethyl-1,2,3,4-tetrahydropyrido[4,3-c]azepine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-1,2,3,4-tetrahydropyrido[4,3-c]azepine?
The IUPAC name of 7,7-dimethyl-1,2,3,4-tetrahydropyrido[4,3-c]azepine (CID 89334721) is 7,7-dimethyl-1,2,3,4-tetrahydropyrido[4,3-c]azepine.
What is the SMILES notation for 7,7-dimethyl-1,2,3,4-tetrahydropyrido[4,3-c]azepine?
The canonical SMILES for 7,7-dimethyl-1,2,3,4-tetrahydropyrido[4,3-c]azepine is CC1(C)C=CC2=C(C=N1)CCNC2.
What is the InChIKey of 7,7-dimethyl-1,2,3,4-tetrahydropyrido[4,3-c]azepine?
The InChIKey is ZEGCDARWGIXQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-11(2)5-3-9-7-12-6-4-10(9)8-13-11/h3,5,8,12H,4,6-7H2,1-2H3.
What are the key properties of 7,7-dimethyl-1,2,3,4-tetrahydropyrido[4,3-c]azepine?
7,7-dimethyl-1,2,3,4-tetrahydropyrido[4,3-c]azepine has a molecular weight of 176.26 g/mol, XLogP of 1.70, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-1,2,3,4-tetrahydropyrido[4,3-c]azepine is sourced from PubChem (CID 89334721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).