2-ethyl-5-methyl-1,3-diazinane

C7H16N2 — CID 89151202

IUPAC2-ethyl-5-methyl-1,3-diazinane
SMILESCCC1NCC(C)CN1
InChIInChI=1S/C7H16N2/c1-3-7-8-4-6(2)5-9-7/h6-9H,3-5H2,1-2H3
InChIKeyWTLPMPQHOLQAPA-UHFFFAOYSA-N
MW128.22 g/mol
LogP0.55
Rot. Bonds1

About 2-ethyl-5-methyl-1,3-diazinane

2-ethyl-5-methyl-1,3-diazinane (PubChem CID 89151202) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is 2-ethyl-5-methyl-1,3-diazinane.

Molecular Properties

Compound Name2-ethyl-5-methyl-1,3-diazinane
PubChem CID89151202
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC Name2-ethyl-5-methyl-1,3-diazinane
SMILESCCC1NCC(C)CN1
InChIInChI=1S/C7H16N2/c1-3-7-8-4-6(2)5-9-7/h6-9H,3-5H2,1-2H3
InChIKeyWTLPMPQHOLQAPA-UHFFFAOYSA-N
XLogP0.55
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methyl-1,3-diazinane?
The IUPAC name of 2-ethyl-5-methyl-1,3-diazinane (CID 89151202) is 2-ethyl-5-methyl-1,3-diazinane.
What is the SMILES notation for 2-ethyl-5-methyl-1,3-diazinane?
The canonical SMILES for 2-ethyl-5-methyl-1,3-diazinane is CCC1NCC(C)CN1.
What is the InChIKey of 2-ethyl-5-methyl-1,3-diazinane?
The InChIKey is WTLPMPQHOLQAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2/c1-3-7-8-4-6(2)5-9-7/h6-9H,3-5H2,1-2H3.
What are the key properties of 2-ethyl-5-methyl-1,3-diazinane?
2-ethyl-5-methyl-1,3-diazinane has a molecular weight of 128.22 g/mol, XLogP of 0.55, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methyl-1,3-diazinane is sourced from PubChem (CID 89151202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).