5-ethyl-3,7-dimethyl-4H-azepine

C10H15N — CID 118218279

IUPAC5-ethyl-3,7-dimethyl-4H-azepine
SMILESCCC1=CC(C)=NC=C(C)C1
InChIInChI=1S/C10H15N/c1-4-10-5-8(2)7-11-9(3)6-10/h6-7H,4-5H2,1-3H3
InChIKeySKUDYEAMFAEZNM-UHFFFAOYSA-N
MW149.24 g/mol
LogP3.09
Rot. Bonds1

About 5-ethyl-3,7-dimethyl-4H-azepine

5-ethyl-3,7-dimethyl-4H-azepine (PubChem CID 118218279) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 5-ethyl-3,7-dimethyl-4H-azepine.

Molecular Properties

Compound Name5-ethyl-3,7-dimethyl-4H-azepine
PubChem CID118218279
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name5-ethyl-3,7-dimethyl-4H-azepine
SMILESCCC1=CC(C)=NC=C(C)C1
InChIInChI=1S/C10H15N/c1-4-10-5-8(2)7-11-9(3)6-10/h6-7H,4-5H2,1-3H3
InChIKeySKUDYEAMFAEZNM-UHFFFAOYSA-N
XLogP3.09
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 ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3,7-dimethyl-4H-azepine?
The IUPAC name of 5-ethyl-3,7-dimethyl-4H-azepine (CID 118218279) is 5-ethyl-3,7-dimethyl-4H-azepine.
What is the SMILES notation for 5-ethyl-3,7-dimethyl-4H-azepine?
The canonical SMILES for 5-ethyl-3,7-dimethyl-4H-azepine is CCC1=CC(C)=NC=C(C)C1.
What is the InChIKey of 5-ethyl-3,7-dimethyl-4H-azepine?
The InChIKey is SKUDYEAMFAEZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-4-10-5-8(2)7-11-9(3)6-10/h6-7H,4-5H2,1-3H3.
What are the key properties of 5-ethyl-3,7-dimethyl-4H-azepine?
5-ethyl-3,7-dimethyl-4H-azepine has a molecular weight of 149.24 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3,7-dimethyl-4H-azepine is sourced from PubChem (CID 118218279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).