3-benzyl-1-phenyl-1,4-diazepane

C18H22N2 — CID 64943308

IUPAC3-benzyl-1-phenyl-1,4-diazepane
SMILESc1ccc(CC2CN(c3ccccc3)CCCN2)cc1
InChIInChI=1S/C18H22N2/c1-3-8-16(9-4-1)14-17-15-20(13-7-12-19-17)18-10-5-2-6-11-18/h1-6,8-11,17,19H,7,12-15H2
InChIKeyWIVHEFLUZLYDCO-UHFFFAOYSA-N
MW266.39 g/mol
LogP3.10
Rot. Bonds3

About 3-benzyl-1-phenyl-1,4-diazepane

3-benzyl-1-phenyl-1,4-diazepane (PubChem CID 64943308) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 3-benzyl-1-phenyl-1,4-diazepane.

Molecular Properties

Compound Name3-benzyl-1-phenyl-1,4-diazepane
PubChem CID64943308
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Name3-benzyl-1-phenyl-1,4-diazepane
SMILESc1ccc(CC2CN(c3ccccc3)CCCN2)cc1
InChIInChI=1S/C18H22N2/c1-3-8-16(9-4-1)14-17-15-20(13-7-12-19-17)18-10-5-2-6-11-18/h1-6,8-11,17,19H,7,12-15H2
InChIKeyWIVHEFLUZLYDCO-UHFFFAOYSA-N
XLogP3.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-phenyl-1,4-diazepane?
The IUPAC name of 3-benzyl-1-phenyl-1,4-diazepane (CID 64943308) is 3-benzyl-1-phenyl-1,4-diazepane.
What is the SMILES notation for 3-benzyl-1-phenyl-1,4-diazepane?
The canonical SMILES for 3-benzyl-1-phenyl-1,4-diazepane is c1ccc(CC2CN(c3ccccc3)CCCN2)cc1.
What is the InChIKey of 3-benzyl-1-phenyl-1,4-diazepane?
The InChIKey is WIVHEFLUZLYDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c1-3-8-16(9-4-1)14-17-15-20(13-7-12-19-17)18-10-5-2-6-11-18/h1-6,8-11,17,19H,7,12-15H2.
What are the key properties of 3-benzyl-1-phenyl-1,4-diazepane?
3-benzyl-1-phenyl-1,4-diazepane has a molecular weight of 266.39 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-phenyl-1,4-diazepane is sourced from PubChem (CID 64943308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).