2,5-dimethyl-1,3-diazinane

C6H14N2 — CID 22964526

IUPAC2,5-dimethyl-1,3-diazinane
SMILESCC1CNC(C)NC1
InChIInChI=1S/C6H14N2/c1-5-3-7-6(2)8-4-5/h5-8H,3-4H2,1-2H3
InChIKeyPXQRBGJTHKQWBC-UHFFFAOYSA-N
MW114.19 g/mol
LogP0.16
Rot. Bonds

About 2,5-dimethyl-1,3-diazinane

2,5-dimethyl-1,3-diazinane (PubChem CID 22964526) has the molecular formula C6H14N2 and a molecular weight of 114.19 g/mol. Its IUPAC name is 2,5-dimethyl-1,3-diazinane.

Molecular Properties

Compound Name2,5-dimethyl-1,3-diazinane
PubChem CID22964526
Molecular FormulaC6H14N2
Molecular Weight114.19 g/mol
Exact Mass114.12
IUPAC Name2,5-dimethyl-1,3-diazinane
SMILESCC1CNC(C)NC1
InChIInChI=1S/C6H14N2/c1-5-3-7-6(2)8-4-5/h5-8H,3-4H2,1-2H3
InChIKeyPXQRBGJTHKQWBC-UHFFFAOYSA-N
XLogP0.16
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1,3-diazinane?
The IUPAC name of 2,5-dimethyl-1,3-diazinane (CID 22964526) is 2,5-dimethyl-1,3-diazinane.
What is the SMILES notation for 2,5-dimethyl-1,3-diazinane?
The canonical SMILES for 2,5-dimethyl-1,3-diazinane is CC1CNC(C)NC1.
What is the InChIKey of 2,5-dimethyl-1,3-diazinane?
The InChIKey is PXQRBGJTHKQWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2/c1-5-3-7-6(2)8-4-5/h5-8H,3-4H2,1-2H3.
What are the key properties of 2,5-dimethyl-1,3-diazinane?
2,5-dimethyl-1,3-diazinane has a molecular weight of 114.19 g/mol, XLogP of 0.16, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1,3-diazinane is sourced from PubChem (CID 22964526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).