1-benzyl-1,3-diazinane

C11H16N2 — CID 753786

IUPAC1-benzyl-1,3-diazinane
SMILESc1ccc(CN2CCCNC2)cc1
InChIInChI=1S/C11H16N2/c1-2-5-11(6-3-1)9-13-8-4-7-12-10-13/h1-3,5-6,12H,4,7-10H2
InChIKeyKOSJUMIQLLFOIG-UHFFFAOYSA-N
MW176.26 g/mol
LogP1.44
Rot. Bonds2

About 1-benzyl-1,3-diazinane

1-benzyl-1,3-diazinane (PubChem CID 753786) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 1-benzyl-1,3-diazinane.

Molecular Properties

Compound Name1-benzyl-1,3-diazinane
PubChem CID753786
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name1-benzyl-1,3-diazinane
SMILESc1ccc(CN2CCCNC2)cc1
InChIInChI=1S/C11H16N2/c1-2-5-11(6-3-1)9-13-8-4-7-12-10-13/h1-3,5-6,12H,4,7-10H2
InChIKeyKOSJUMIQLLFOIG-UHFFFAOYSA-N
XLogP1.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-1,3-diazinane?
The IUPAC name of 1-benzyl-1,3-diazinane (CID 753786) is 1-benzyl-1,3-diazinane.
What is the SMILES notation for 1-benzyl-1,3-diazinane?
The canonical SMILES for 1-benzyl-1,3-diazinane is c1ccc(CN2CCCNC2)cc1.
What is the InChIKey of 1-benzyl-1,3-diazinane?
The InChIKey is KOSJUMIQLLFOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-2-5-11(6-3-1)9-13-8-4-7-12-10-13/h1-3,5-6,12H,4,7-10H2.
What are the key properties of 1-benzyl-1,3-diazinane?
1-benzyl-1,3-diazinane has a molecular weight of 176.26 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-1,3-diazinane is sourced from PubChem (CID 753786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).