2,7-dimethyl-4H-azepine

C8H11N — CID 142215630

IUPAC2,7-dimethyl-4H-azepine
SMILESCC1=CCC=CC(C)=N1
InChIInChI=1S/C8H11N/c1-7-5-3-4-6-8(2)9-7/h3,5-6H,4H2,1-2H3
InChIKeyCHTUGUJVXTYWML-UHFFFAOYSA-N
MW121.18 g/mol
LogP2.31
Rot. Bonds

About 2,7-dimethyl-4H-azepine

2,7-dimethyl-4H-azepine (PubChem CID 142215630) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is 2,7-dimethyl-4H-azepine.

Molecular Properties

Compound Name2,7-dimethyl-4H-azepine
PubChem CID142215630
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC Name2,7-dimethyl-4H-azepine
SMILESCC1=CCC=CC(C)=N1
InChIInChI=1S/C8H11N/c1-7-5-3-4-6-8(2)9-7/h3,5-6H,4H2,1-2H3
InChIKeyCHTUGUJVXTYWML-UHFFFAOYSA-N
XLogP2.31
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,7-dimethyl-3H-azepine
CID 21672375
2,4-Dimethylazacyclobutadiene
CID 59593609
(E)-3-fluoro-N-prop-1-en-2-ylpent-3-en-2-imine
CID 117805296
(Z)-N-(3,3,3-trifluoroprop-1-en-2-yl)pent-3-en-2-imine
CID 131996217
(Z)-N-[(E)-1,1,1-trifluoropent-2-en-2-yl]pent-3-en-2-imine
CID 134219972
(Z)-N-[(Z)-but-2-en-2-yl]-1,1,1-trifluoropent-3-en-2-imine
CID 135140839
(Z)-N-[(Z)-but-2-en-2-yl]-1,1,1-trifluoropent-3-en-2-imine;ethane
CID 142374868
2-ethyl-7-fluoro-4H-azepine
CID 144144805
7-methyl-2-(trifluoromethyl)-4H-azepine
CID 145130421
ethane;(Z)-1,1,1-trifluoro-N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]pent-3-en-2-imine
CID 167515096
7-[(1Z)-buta-1,3-dienyl]-3-fluoro-2-methyl-4H-azepine
CID 143224007
(Z)-1,1,1-trifluoro-N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]pent-3-en-2-imine
CID 167515097

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-4H-azepine?
The IUPAC name of 2,7-dimethyl-4H-azepine (CID 142215630) is 2,7-dimethyl-4H-azepine.
What is the SMILES notation for 2,7-dimethyl-4H-azepine?
The canonical SMILES for 2,7-dimethyl-4H-azepine is CC1=CCC=CC(C)=N1.
What is the InChIKey of 2,7-dimethyl-4H-azepine?
The InChIKey is CHTUGUJVXTYWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N/c1-7-5-3-4-6-8(2)9-7/h3,5-6H,4H2,1-2H3.
What are the key properties of 2,7-dimethyl-4H-azepine?
2,7-dimethyl-4H-azepine has a molecular weight of 121.18 g/mol, XLogP of 2.31, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-4H-azepine is sourced from PubChem (CID 142215630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).