2,2-diethyl-1,3-diazinane

C8H18N2 — CID 55286866

IUPAC2,2-diethyl-1,3-diazinane
SMILESCCC1(CC)NCCCN1
InChIInChI=1S/C8H18N2/c1-3-8(4-2)9-6-5-7-10-8/h9-10H,3-7H2,1-2H3
InChIKeyXLTAVERHXPKANU-UHFFFAOYSA-N
MW142.25 g/mol
LogP1.09
Rot. Bonds2

About 2,2-diethyl-1,3-diazinane

2,2-diethyl-1,3-diazinane (PubChem CID 55286866) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is 2,2-diethyl-1,3-diazinane.

Molecular Properties

Compound Name2,2-diethyl-1,3-diazinane
PubChem CID55286866
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name2,2-diethyl-1,3-diazinane
SMILESCCC1(CC)NCCCN1
InChIInChI=1S/C8H18N2/c1-3-8(4-2)9-6-5-7-10-8/h9-10H,3-7H2,1-2H3
InChIKeyXLTAVERHXPKANU-UHFFFAOYSA-N
XLogP1.09
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-1,3-diazinane?
The IUPAC name of 2,2-diethyl-1,3-diazinane (CID 55286866) is 2,2-diethyl-1,3-diazinane.
What is the SMILES notation for 2,2-diethyl-1,3-diazinane?
The canonical SMILES for 2,2-diethyl-1,3-diazinane is CCC1(CC)NCCCN1.
What is the InChIKey of 2,2-diethyl-1,3-diazinane?
The InChIKey is XLTAVERHXPKANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2/c1-3-8(4-2)9-6-5-7-10-8/h9-10H,3-7H2,1-2H3.
What are the key properties of 2,2-diethyl-1,3-diazinane?
2,2-diethyl-1,3-diazinane has a molecular weight of 142.25 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-1,3-diazinane is sourced from PubChem (CID 55286866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).