7-ethyl-4-methyl-3,4-dihydro-2H-azepine

C9H15N — CID 89227477

IUPAC7-ethyl-4-methyl-3,4-dihydro-2H-azepine
SMILESCCC1=NCCC(C)C=C1
InChIInChI=1S/C9H15N/c1-3-9-5-4-8(2)6-7-10-9/h4-5,8H,3,6-7H2,1-2H3
InChIKeyLETRWRSRDDPXTL-UHFFFAOYSA-N
MW137.23 g/mol
LogP2.43
Rot. Bonds1

About 7-ethyl-4-methyl-3,4-dihydro-2H-azepine

7-ethyl-4-methyl-3,4-dihydro-2H-azepine (PubChem CID 89227477) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 7-ethyl-4-methyl-3,4-dihydro-2H-azepine.

Molecular Properties

Compound Name7-ethyl-4-methyl-3,4-dihydro-2H-azepine
PubChem CID89227477
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name7-ethyl-4-methyl-3,4-dihydro-2H-azepine
SMILESCCC1=NCCC(C)C=C1
InChIInChI=1S/C9H15N/c1-3-9-5-4-8(2)6-7-10-9/h4-5,8H,3,6-7H2,1-2H3
InChIKeyLETRWRSRDDPXTL-UHFFFAOYSA-N
XLogP2.43
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-4-methyl-3,4-dihydro-2H-azepine?
The IUPAC name of 7-ethyl-4-methyl-3,4-dihydro-2H-azepine (CID 89227477) is 7-ethyl-4-methyl-3,4-dihydro-2H-azepine.
What is the SMILES notation for 7-ethyl-4-methyl-3,4-dihydro-2H-azepine?
The canonical SMILES for 7-ethyl-4-methyl-3,4-dihydro-2H-azepine is CCC1=NCCC(C)C=C1.
What is the InChIKey of 7-ethyl-4-methyl-3,4-dihydro-2H-azepine?
The InChIKey is LETRWRSRDDPXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-3-9-5-4-8(2)6-7-10-9/h4-5,8H,3,6-7H2,1-2H3.
What are the key properties of 7-ethyl-4-methyl-3,4-dihydro-2H-azepine?
7-ethyl-4-methyl-3,4-dihydro-2H-azepine has a molecular weight of 137.23 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-4-methyl-3,4-dihydro-2H-azepine is sourced from PubChem (CID 89227477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).