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

C10H19N — CID 20761802

IUPAC2,3,5,7-tetramethyl-3,4,5,6-tetrahydro-2H-azepine
SMILESCC1=NC(C)C(C)CC(C)C1
InChIInChI=1S/C10H19N/c1-7-5-8(2)10(4)11-9(3)6-7/h7-8,10H,5-6H2,1-4H3
InChIKeyQIFSRGGEONVIQQ-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.90
Rot. Bonds

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

2,3,5,7-tetramethyl-3,4,5,6-tetrahydro-2H-azepine (PubChem CID 20761802) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 2,3,5,7-tetramethyl-3,4,5,6-tetrahydro-2H-azepine.

Molecular Properties

Compound Name2,3,5,7-tetramethyl-3,4,5,6-tetrahydro-2H-azepine
PubChem CID20761802
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name2,3,5,7-tetramethyl-3,4,5,6-tetrahydro-2H-azepine
SMILESCC1=NC(C)C(C)CC(C)C1
InChIInChI=1S/C10H19N/c1-7-5-8(2)10(4)11-9(3)6-7/h7-8,10H,5-6H2,1-4H3
InChIKeyQIFSRGGEONVIQQ-UHFFFAOYSA-N
XLogP2.90
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,5,7-tetramethyl-3,4,5,6-tetrahydro-2H-azepine?
The IUPAC name of 2,3,5,7-tetramethyl-3,4,5,6-tetrahydro-2H-azepine (CID 20761802) is 2,3,5,7-tetramethyl-3,4,5,6-tetrahydro-2H-azepine.
What is the SMILES notation for 2,3,5,7-tetramethyl-3,4,5,6-tetrahydro-2H-azepine?
The canonical SMILES for 2,3,5,7-tetramethyl-3,4,5,6-tetrahydro-2H-azepine is CC1=NC(C)C(C)CC(C)C1.
What is the InChIKey of 2,3,5,7-tetramethyl-3,4,5,6-tetrahydro-2H-azepine?
The InChIKey is QIFSRGGEONVIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-7-5-8(2)10(4)11-9(3)6-7/h7-8,10H,5-6H2,1-4H3.
What are the key properties of 2,3,5,7-tetramethyl-3,4,5,6-tetrahydro-2H-azepine?
2,3,5,7-tetramethyl-3,4,5,6-tetrahydro-2H-azepine has a molecular weight of 153.27 g/mol, XLogP of 2.90, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,7-tetramethyl-3,4,5,6-tetrahydro-2H-azepine is sourced from PubChem (CID 20761802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).