1,2,3,7-tetramethylazepine

C10H15N — CID 139991248

IUPAC1,2,3,7-tetramethylazepine
SMILESCC1=CC=CC(C)=C(C)N1C
InChIInChI=1S/C10H15N/c1-8-6-5-7-9(2)11(4)10(8)3/h5-7H,1-4H3
InChIKeyAIOFWKKROJZZPL-UHFFFAOYSA-N
MW149.24 g/mol
LogP2.69
Rot. Bonds

About 1,2,3,7-tetramethylazepine

1,2,3,7-tetramethylazepine (PubChem CID 139991248) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 1,2,3,7-tetramethylazepine.

Molecular Properties

Compound Name1,2,3,7-tetramethylazepine
PubChem CID139991248
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name1,2,3,7-tetramethylazepine
SMILESCC1=CC=CC(C)=C(C)N1C
InChIInChI=1S/C10H15N/c1-8-6-5-7-9(2)11(4)10(8)3/h5-7H,1-4H3
InChIKeyAIOFWKKROJZZPL-UHFFFAOYSA-N
XLogP2.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,7-tetramethylazepine?
The IUPAC name of 1,2,3,7-tetramethylazepine (CID 139991248) is 1,2,3,7-tetramethylazepine.
What is the SMILES notation for 1,2,3,7-tetramethylazepine?
The canonical SMILES for 1,2,3,7-tetramethylazepine is CC1=CC=CC(C)=C(C)N1C.
What is the InChIKey of 1,2,3,7-tetramethylazepine?
The InChIKey is AIOFWKKROJZZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-8-6-5-7-9(2)11(4)10(8)3/h5-7H,1-4H3.
What are the key properties of 1,2,3,7-tetramethylazepine?
1,2,3,7-tetramethylazepine has a molecular weight of 149.24 g/mol, XLogP of 2.69, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,7-tetramethylazepine is sourced from PubChem (CID 139991248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).