2-ethyl-2,5-dimethylazepine

C10H15N — CID 91580028

IUPAC2-ethyl-2,5-dimethylazepine
SMILESCCC1(C)C=CC(C)=CC=N1
InChIInChI=1S/C10H15N/c1-4-10(3)7-5-9(2)6-8-11-10/h5-8H,4H2,1-3H3
InChIKeyMRYFRLRNVUYXPU-UHFFFAOYSA-N
MW149.24 g/mol
LogP2.74
Rot. Bonds1

About 2-ethyl-2,5-dimethylazepine

2-ethyl-2,5-dimethylazepine (PubChem CID 91580028) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 2-ethyl-2,5-dimethylazepine.

Molecular Properties

Compound Name2-ethyl-2,5-dimethylazepine
PubChem CID91580028
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name2-ethyl-2,5-dimethylazepine
SMILESCCC1(C)C=CC(C)=CC=N1
InChIInChI=1S/C10H15N/c1-4-10(3)7-5-9(2)6-8-11-10/h5-8H,4H2,1-3H3
InChIKeyMRYFRLRNVUYXPU-UHFFFAOYSA-N
XLogP2.74
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Diethylideneaniline
CID 70417807
2-Fluoro-2,5-dimethylazepine
CID 178157992
2h-Azepine-2-spiro-cyclopropane
CID 129860184
N-[(3E,5E)-3-ethenyl-6-fluorohexa-3,5-dien-2-yl]prop-2-en-1-imine
CID 144407789
2H-3-benzazepine
CID 23177331
2-But-2-enyl-2-ethylpyrrole
CID 57004955
6-Methyl-4a,8a-dihydroquinoline
CID 57883984
6-Propan-2-yl-4a,8a-dihydroquinoline
CID 59940834
2,2,3-Trimethylazepine
CID 67621169
2,2-Dimethylazepine
CID 67754093
5-methyl-2H-azepine
CID 68207866
6-ethyl-2H-azepine
CID 68405224

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2,5-dimethylazepine?
The IUPAC name of 2-ethyl-2,5-dimethylazepine (CID 91580028) is 2-ethyl-2,5-dimethylazepine.
What is the SMILES notation for 2-ethyl-2,5-dimethylazepine?
The canonical SMILES for 2-ethyl-2,5-dimethylazepine is CCC1(C)C=CC(C)=CC=N1.
What is the InChIKey of 2-ethyl-2,5-dimethylazepine?
The InChIKey is MRYFRLRNVUYXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-4-10(3)7-5-9(2)6-8-11-10/h5-8H,4H2,1-3H3.
What are the key properties of 2-ethyl-2,5-dimethylazepine?
2-ethyl-2,5-dimethylazepine has a molecular weight of 149.24 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2,5-dimethylazepine is sourced from PubChem (CID 91580028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).