(2R)-2,7-dimethyl-2H-azepine

C8H11N — CID 134989460

IUPAC(2R)-2,7-dimethyl-2H-azepine
SMILESCC1=N[C@H](C)C=CC=C1
InChIInChI=1S/C8H11N/c1-7-5-3-4-6-8(2)9-7/h3-7H,1-2H3/t7-/m1/s1
InChIKeyDRTGYCFFKZAFQO-SSDOTTSWSA-N
MW121.18 g/mol
LogP1.96
Rot. Bonds

About (2R)-2,7-dimethyl-2H-azepine

(2R)-2,7-dimethyl-2H-azepine (PubChem CID 134989460) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is (2R)-2,7-dimethyl-2H-azepine.

Molecular Properties

Compound Name(2R)-2,7-dimethyl-2H-azepine
PubChem CID134989460
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC Name(2R)-2,7-dimethyl-2H-azepine
SMILESCC1=N[C@H](C)C=CC=C1
InChIInChI=1S/C8H11N/c1-7-5-3-4-6-8(2)9-7/h3-7H,1-2H3/t7-/m1/s1
InChIKeyDRTGYCFFKZAFQO-SSDOTTSWSA-N
XLogP1.96
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 ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2,7-dimethyl-2H-azepine
CID 21672374
2,5-Dimethyl-2H-pyrrole
CID 21811124
4-fluoro-7-methyl-2H-azepine
CID 131982638
2-Fluoro-2,7-dimethylazepine
CID 144270478
6-fluoro-7-methyl-2H-azepine
CID 156570277
1-N,2-N-di(propan-2-yl)cyclohepta-3,5-diene-1,2-diimine
CID 101338172
(2R)-7-butyl-2-methyl-2H-azepine
CID 134989384
Methanaminium, N-2,4,6-cycloheptatrien-1-ylidene-N-hydroxyhydroxide
CID 144109
N-methylcyclohepta-2,4,6-trien-1-imine
CID 12331379
Cyclohepta-2,4,6-trien-1-ylidene(dimethyl)azanium
CID 12485874
N-propylcyclohexa-2,5-dien-1-imine
CID 21188343
7-methyl-2H-azepine
CID 23594838

Frequently Asked Questions

What is the IUPAC name of (2R)-2,7-dimethyl-2H-azepine?
The IUPAC name of (2R)-2,7-dimethyl-2H-azepine (CID 134989460) is (2R)-2,7-dimethyl-2H-azepine.
What is the SMILES notation for (2R)-2,7-dimethyl-2H-azepine?
The canonical SMILES for (2R)-2,7-dimethyl-2H-azepine is CC1=N[C@H](C)C=CC=C1.
What is the InChIKey of (2R)-2,7-dimethyl-2H-azepine?
The InChIKey is DRTGYCFFKZAFQO-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H11N/c1-7-5-3-4-6-8(2)9-7/h3-7H,1-2H3/t7-/m1/s1.
What are the key properties of (2R)-2,7-dimethyl-2H-azepine?
(2R)-2,7-dimethyl-2H-azepine has a molecular weight of 121.18 g/mol, XLogP of 1.96, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,7-dimethyl-2H-azepine is sourced from PubChem (CID 134989460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).