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

C13H18N2 — CID 142875442

IUPAC8,8-dimethylpyrido[3,2-b]azepine;ethane
SMILESCC.CC1(C)C=CN=c2cccnc2=C1
InChIInChI=1S/C11H12N2.C2H6/c1-11(2)5-7-13-9-4-3-6-12-10(9)8-11;1-2/h3-8H,1-2H3;1-2H3
InChIKeyWMJMAWWZGVTWQJ-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.06
Rot. Bonds

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

8,8-dimethylpyrido[3,2-b]azepine;ethane (PubChem CID 142875442) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 8,8-dimethylpyrido[3,2-b]azepine;ethane.

Molecular Properties

Compound Name8,8-dimethylpyrido[3,2-b]azepine;ethane
PubChem CID142875442
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name8,8-dimethylpyrido[3,2-b]azepine;ethane
SMILESCC.CC1(C)C=CN=c2cccnc2=C1
InChIInChI=1S/C11H12N2.C2H6/c1-11(2)5-7-13-9-4-3-6-12-10(9)8-11;1-2/h3-8H,1-2H3;1-2H3
InChIKeyWMJMAWWZGVTWQJ-UHFFFAOYSA-N
XLogP2.06
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.06
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
(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
(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-Dimethylazepine
CID 91225310
N-[(E)-(6-methyl-3-methylidene-2-pyridinylidene)methyl]ethanimine
CID 117635475
(2E)-2-[(Z)-but-2-enylidene]-N-methylpyridin-3-imine
CID 117957186
(2Z)-2-(1-chloroethylidene)-N-ethenylpyridin-3-imine
CID 122535426
(E)-3-N-butan-2-ylidene-1-N-ethylpent-2-ene-1,3-diimine
CID 123210191
N-but-1-enyl-2-but-2-enylidenepyridin-3-imine
CID 123221322

Frequently Asked Questions

What is the IUPAC name of 8,8-dimethylpyrido[3,2-b]azepine;ethane?
The IUPAC name of 8,8-dimethylpyrido[3,2-b]azepine;ethane (CID 142875442) is 8,8-dimethylpyrido[3,2-b]azepine;ethane.
What is the SMILES notation for 8,8-dimethylpyrido[3,2-b]azepine;ethane?
The canonical SMILES for 8,8-dimethylpyrido[3,2-b]azepine;ethane is CC.CC1(C)C=CN=c2cccnc2=C1.
What is the InChIKey of 8,8-dimethylpyrido[3,2-b]azepine;ethane?
The InChIKey is WMJMAWWZGVTWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2.C2H6/c1-11(2)5-7-13-9-4-3-6-12-10(9)8-11;1-2/h3-8H,1-2H3;1-2H3.
What are the key properties of 8,8-dimethylpyrido[3,2-b]azepine;ethane?
8,8-dimethylpyrido[3,2-b]azepine;ethane has a molecular weight of 202.30 g/mol, XLogP of 2.06, 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;ethane is sourced from PubChem (CID 142875442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).