1,3,5-trimethyl-1,3-diazinane

C7H16N2 — CID 5256154

IUPAC1,3,5-trimethyl-1,3-diazinane
SMILESCC1CN(C)CN(C)C1
InChIInChI=1S/C7H16N2/c1-7-4-8(2)6-9(3)5-7/h7H,4-6H2,1-3H3
InChIKeyMDOWMQUOVUXONQ-UHFFFAOYSA-N
MW128.22 g/mol
LogP0.46
Rot. Bonds

About 1,3,5-trimethyl-1,3-diazinane

1,3,5-trimethyl-1,3-diazinane (PubChem CID 5256154) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is 1,3,5-trimethyl-1,3-diazinane.

Molecular Properties

Compound Name1,3,5-trimethyl-1,3-diazinane
PubChem CID5256154
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC Name1,3,5-trimethyl-1,3-diazinane
SMILESCC1CN(C)CN(C)C1
InChIInChI=1S/C7H16N2/c1-7-4-8(2)6-9(3)5-7/h7H,4-6H2,1-3H3
InChIKeyMDOWMQUOVUXONQ-UHFFFAOYSA-N
XLogP0.46
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-1,3-diazinane?
The IUPAC name of 1,3,5-trimethyl-1,3-diazinane (CID 5256154) is 1,3,5-trimethyl-1,3-diazinane.
What is the SMILES notation for 1,3,5-trimethyl-1,3-diazinane?
The canonical SMILES for 1,3,5-trimethyl-1,3-diazinane is CC1CN(C)CN(C)C1.
What is the InChIKey of 1,3,5-trimethyl-1,3-diazinane?
The InChIKey is MDOWMQUOVUXONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2/c1-7-4-8(2)6-9(3)5-7/h7H,4-6H2,1-3H3.
What are the key properties of 1,3,5-trimethyl-1,3-diazinane?
1,3,5-trimethyl-1,3-diazinane has a molecular weight of 128.22 g/mol, XLogP of 0.46, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-1,3-diazinane is sourced from PubChem (CID 5256154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).