4-ethyl-4-methylazepine

C9H13N — CID 123458207

IUPAC4-ethyl-4-methylazepine
SMILESCCC1(C)C=CC=NC=C1
InChIInChI=1S/C9H13N/c1-3-9(2)5-4-7-10-8-6-9/h4-8H,3H2,1-2H3
InChIKeyCBLGBUNZULBMAF-UHFFFAOYSA-N
MW135.21 g/mol
LogP2.56
Rot. Bonds1

About 4-ethyl-4-methylazepine

4-ethyl-4-methylazepine (PubChem CID 123458207) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is 4-ethyl-4-methylazepine.

Molecular Properties

Compound Name4-ethyl-4-methylazepine
PubChem CID123458207
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name4-ethyl-4-methylazepine
SMILESCCC1(C)C=CC=NC=C1
InChIInChI=1S/C9H13N/c1-3-9(2)5-4-7-10-8-6-9/h4-8H,3H2,1-2H3
InChIKeyCBLGBUNZULBMAF-UHFFFAOYSA-N
XLogP2.56
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-Fluoro-3,4,4-trimethylazepine
CID 142596710
2-Fluoro-4,4-dimethylazepine
CID 177210027
5-Tert-butyl-3,3-dimethylazepine
CID 89070578
(E)-N-[(Z)-prop-1-enyl]pent-2-en-1-imine
CID 89351795
4-ethyl-4H-azepine
CID 90736264
4-methyl-4H-azepine
CID 91086271
3-ethyl-3H-azepine
CID 91176822
4,4-Dimethylazepine
CID 91225310
4,5-dimethyl-4H-azepine
CID 91488497
5-methyl-4H-azepine
CID 91493093
3-tert-butyl-3H-azepine
CID 101271169
(2E)-N-ethenyl-3,5-dimethylhexa-2,5-dien-1-imine
CID 117754615

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4-methylazepine?
The IUPAC name of 4-ethyl-4-methylazepine (CID 123458207) is 4-ethyl-4-methylazepine.
What is the SMILES notation for 4-ethyl-4-methylazepine?
The canonical SMILES for 4-ethyl-4-methylazepine is CCC1(C)C=CC=NC=C1.
What is the InChIKey of 4-ethyl-4-methylazepine?
The InChIKey is CBLGBUNZULBMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N/c1-3-9(2)5-4-7-10-8-6-9/h4-8H,3H2,1-2H3.
What are the key properties of 4-ethyl-4-methylazepine?
4-ethyl-4-methylazepine has a molecular weight of 135.21 g/mol, XLogP of 2.56, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4-methylazepine is sourced from PubChem (CID 123458207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).