2-benzylidene-1,3-diazinane

C11H14N2 — CID 14931630

IUPAC2-benzylidene-1,3-diazinane
SMILESC(=C1NCCCN1)c1ccccc1
InChIInChI=1S/C11H14N2/c1-2-5-10(6-3-1)9-11-12-7-4-8-13-11/h1-3,5-6,9,12-13H,4,7-8H2
InChIKeyDKBJYFVSFDDKDL-UHFFFAOYSA-N
MW174.25 g/mol
LogP1.57
Rot. Bonds1

About 2-benzylidene-1,3-diazinane

2-benzylidene-1,3-diazinane (PubChem CID 14931630) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 2-benzylidene-1,3-diazinane.

Molecular Properties

Compound Name2-benzylidene-1,3-diazinane
PubChem CID14931630
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name2-benzylidene-1,3-diazinane
SMILESC(=C1NCCCN1)c1ccccc1
InChIInChI=1S/C11H14N2/c1-2-5-10(6-3-1)9-11-12-7-4-8-13-11/h1-3,5-6,9,12-13H,4,7-8H2
InChIKeyDKBJYFVSFDDKDL-UHFFFAOYSA-N
XLogP1.57
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzylidene-1,3-diazinane?
The IUPAC name of 2-benzylidene-1,3-diazinane (CID 14931630) is 2-benzylidene-1,3-diazinane.
What is the SMILES notation for 2-benzylidene-1,3-diazinane?
The canonical SMILES for 2-benzylidene-1,3-diazinane is C(=C1NCCCN1)c1ccccc1.
What is the InChIKey of 2-benzylidene-1,3-diazinane?
The InChIKey is DKBJYFVSFDDKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-2-5-10(6-3-1)9-11-12-7-4-8-13-11/h1-3,5-6,9,12-13H,4,7-8H2.
What are the key properties of 2-benzylidene-1,3-diazinane?
2-benzylidene-1,3-diazinane has a molecular weight of 174.25 g/mol, XLogP of 1.57, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylidene-1,3-diazinane is sourced from PubChem (CID 14931630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).