7-ethyl-3,4,5,6-tetrahydro-2H-azepine

C8H15N — CID 11970279

IUPAC7-ethyl-3,4,5,6-tetrahydro-2H-azepine
SMILESCCC1=NCCCCC1
InChIInChI=1S/C8H15N/c1-2-8-6-4-3-5-7-9-8/h2-7H2,1H3
InChIKeyKOMGPNGZQBIGFV-UHFFFAOYSA-N
MW125.22 g/mol
LogP2.41
Rot. Bonds1

About 7-ethyl-3,4,5,6-tetrahydro-2H-azepine

7-ethyl-3,4,5,6-tetrahydro-2H-azepine (PubChem CID 11970279) has the molecular formula C8H15N and a molecular weight of 125.22 g/mol. Its IUPAC name is 7-ethyl-3,4,5,6-tetrahydro-2H-azepine.

Molecular Properties

Compound Name7-ethyl-3,4,5,6-tetrahydro-2H-azepine
PubChem CID11970279
Molecular FormulaC8H15N
Molecular Weight125.22 g/mol
Exact Mass125.12
IUPAC Name7-ethyl-3,4,5,6-tetrahydro-2H-azepine
SMILESCCC1=NCCCCC1
InChIInChI=1S/C8H15N/c1-2-8-6-4-3-5-7-9-8/h2-7H2,1H3
InChIKeyKOMGPNGZQBIGFV-UHFFFAOYSA-N
XLogP2.41
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.22
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-3,4,5,6-tetrahydro-2H-azepine?
The IUPAC name of 7-ethyl-3,4,5,6-tetrahydro-2H-azepine (CID 11970279) is 7-ethyl-3,4,5,6-tetrahydro-2H-azepine.
What is the SMILES notation for 7-ethyl-3,4,5,6-tetrahydro-2H-azepine?
The canonical SMILES for 7-ethyl-3,4,5,6-tetrahydro-2H-azepine is CCC1=NCCCCC1.
What is the InChIKey of 7-ethyl-3,4,5,6-tetrahydro-2H-azepine?
The InChIKey is KOMGPNGZQBIGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-2-8-6-4-3-5-7-9-8/h2-7H2,1H3.
What are the key properties of 7-ethyl-3,4,5,6-tetrahydro-2H-azepine?
7-ethyl-3,4,5,6-tetrahydro-2H-azepine has a molecular weight of 125.22 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-3,4,5,6-tetrahydro-2H-azepine is sourced from PubChem (CID 11970279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).