1,3,3,5-tetramethyl-4,7-dihydro-2H-azepine

C10H19N — CID 143481405

IUPAC1,3,3,5-tetramethyl-4,7-dihydro-2H-azepine
SMILESCC1=CCN(C)CC(C)(C)C1
InChIInChI=1S/C10H19N/c1-9-5-6-11(4)8-10(2,3)7-9/h5H,6-8H2,1-4H3
InChIKeyZYAMPWHFZVQTEZ-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.29
Rot. Bonds

About 1,3,3,5-tetramethyl-4,7-dihydro-2H-azepine

1,3,3,5-tetramethyl-4,7-dihydro-2H-azepine (PubChem CID 143481405) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 1,3,3,5-tetramethyl-4,7-dihydro-2H-azepine.

Molecular Properties

Compound Name1,3,3,5-tetramethyl-4,7-dihydro-2H-azepine
PubChem CID143481405
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name1,3,3,5-tetramethyl-4,7-dihydro-2H-azepine
SMILESCC1=CCN(C)CC(C)(C)C1
InChIInChI=1S/C10H19N/c1-9-5-6-11(4)8-10(2,3)7-9/h5H,6-8H2,1-4H3
InChIKeyZYAMPWHFZVQTEZ-UHFFFAOYSA-N
XLogP2.29
TPSA3.24 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 ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3,3,5-tetramethyl-4,7-dihydro-2H-azepine?
The IUPAC name of 1,3,3,5-tetramethyl-4,7-dihydro-2H-azepine (CID 143481405) is 1,3,3,5-tetramethyl-4,7-dihydro-2H-azepine.
What is the SMILES notation for 1,3,3,5-tetramethyl-4,7-dihydro-2H-azepine?
The canonical SMILES for 1,3,3,5-tetramethyl-4,7-dihydro-2H-azepine is CC1=CCN(C)CC(C)(C)C1.
What is the InChIKey of 1,3,3,5-tetramethyl-4,7-dihydro-2H-azepine?
The InChIKey is ZYAMPWHFZVQTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-9-5-6-11(4)8-10(2,3)7-9/h5H,6-8H2,1-4H3.
What are the key properties of 1,3,3,5-tetramethyl-4,7-dihydro-2H-azepine?
1,3,3,5-tetramethyl-4,7-dihydro-2H-azepine has a molecular weight of 153.27 g/mol, XLogP of 2.29, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3,5-tetramethyl-4,7-dihydro-2H-azepine is sourced from PubChem (CID 143481405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).