8,8-dimethylpyrido[3,2-b]azepine

C11H12N2 — CID 142875350

IUPAC8,8-dimethylpyrido[3,2-b]azepine
SMILESCC1(C)C=CN=c2cccnc2=C1
InChIInChI=1S/C11H12N2/c1-11(2)5-7-13-9-4-3-6-12-10(9)8-11/h3-8H,1-2H3
InChIKeyVAGZCZRCOCOAKL-UHFFFAOYSA-N
MW172.23 g/mol
LogP1.04
Rot. Bonds

About 8,8-dimethylpyrido[3,2-b]azepine

8,8-dimethylpyrido[3,2-b]azepine (PubChem CID 142875350) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 8,8-dimethylpyrido[3,2-b]azepine.

Molecular Properties

Compound Name8,8-dimethylpyrido[3,2-b]azepine
PubChem CID142875350
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC Name8,8-dimethylpyrido[3,2-b]azepine
SMILESCC1(C)C=CN=c2cccnc2=C1
InChIInChI=1S/C11H12N2/c1-11(2)5-7-13-9-4-3-6-12-10(9)8-11/h3-8H,1-2H3
InChIKeyVAGZCZRCOCOAKL-UHFFFAOYSA-N
XLogP1.04
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 ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2E)-2-ethylidene-N-methylpyridin-3-imine
CID 68010674
(3Z)-3-ethylidene-N-methylpyridin-4-imine
CID 68179744
2,3-Dihydro-1,5-naphthyridine
CID 68214849
(E)-N-[(Z)-1-(4-methyl-2,3-dihydropyridin-6-yl)prop-1-enyl]but-2-en-1-imine
CID 71158073
2-ethylidene-N-methylpyridin-3-imine
CID 77385875
8,8-Dimethylcyclohepta[b]pyridine
CID 88973533
6,6-Dimethylcyclohepta[b]pyrazine
CID 89009892
5,7-dimethyl-2H-1,4-diazepine
CID 89171243
(7S)-7-methyl-7,8-dihydro-6H-pyrido[3,2-b]azepine
CID 90153623
5-propan-2-yl-2H-1,4-diazepine
CID 91005405
4,4,7-Trimethylazepine
CID 91017286
4,4-Dimethylazepine
CID 91225310

Frequently Asked Questions

What is the IUPAC name of 8,8-dimethylpyrido[3,2-b]azepine?
The IUPAC name of 8,8-dimethylpyrido[3,2-b]azepine (CID 142875350) is 8,8-dimethylpyrido[3,2-b]azepine.
What is the SMILES notation for 8,8-dimethylpyrido[3,2-b]azepine?
The canonical SMILES for 8,8-dimethylpyrido[3,2-b]azepine is CC1(C)C=CN=c2cccnc2=C1.
What is the InChIKey of 8,8-dimethylpyrido[3,2-b]azepine?
The InChIKey is VAGZCZRCOCOAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2/c1-11(2)5-7-13-9-4-3-6-12-10(9)8-11/h3-8H,1-2H3.
What are the key properties of 8,8-dimethylpyrido[3,2-b]azepine?
8,8-dimethylpyrido[3,2-b]azepine has a molecular weight of 172.23 g/mol, XLogP of 1.04, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethylpyrido[3,2-b]azepine is sourced from PubChem (CID 142875350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).