2,3,4,7-tetramethyl-3H-azepine

C10H15N — CID 147408067

IUPAC2,3,4,7-tetramethyl-3H-azepine
SMILESCC1=CC=C(C)C(C)C(C)=N1
InChIInChI=1S/C10H15N/c1-7-5-6-8(2)11-10(4)9(7)3/h5-6,9H,1-4H3
InChIKeyDQBIXJIMYRCLKU-UHFFFAOYSA-N
MW149.24 g/mol
LogP2.95
Rot. Bonds

About 2,3,4,7-tetramethyl-3H-azepine

2,3,4,7-tetramethyl-3H-azepine (PubChem CID 147408067) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 2,3,4,7-tetramethyl-3H-azepine.

Molecular Properties

Compound Name2,3,4,7-tetramethyl-3H-azepine
PubChem CID147408067
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name2,3,4,7-tetramethyl-3H-azepine
SMILESCC1=CC=C(C)C(C)C(C)=N1
InChIInChI=1S/C10H15N/c1-7-5-6-8(2)11-10(4)9(7)3/h5-6,9H,1-4H3
InChIKeyDQBIXJIMYRCLKU-UHFFFAOYSA-N
XLogP2.95
TPSA12.36 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 ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,7-tetramethyl-3H-azepine?
The IUPAC name of 2,3,4,7-tetramethyl-3H-azepine (CID 147408067) is 2,3,4,7-tetramethyl-3H-azepine.
What is the SMILES notation for 2,3,4,7-tetramethyl-3H-azepine?
The canonical SMILES for 2,3,4,7-tetramethyl-3H-azepine is CC1=CC=C(C)C(C)C(C)=N1.
What is the InChIKey of 2,3,4,7-tetramethyl-3H-azepine?
The InChIKey is DQBIXJIMYRCLKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-7-5-6-8(2)11-10(4)9(7)3/h5-6,9H,1-4H3.
What are the key properties of 2,3,4,7-tetramethyl-3H-azepine?
2,3,4,7-tetramethyl-3H-azepine has a molecular weight of 149.24 g/mol, XLogP of 2.95, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,7-tetramethyl-3H-azepine is sourced from PubChem (CID 147408067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).