5-tert-butyl-1,3-diazinane

C8H18N2 — CID 153432359

IUPAC5-tert-butyl-1,3-diazinane
SMILESCC(C)(C)C1CNCNC1
InChIInChI=1S/C8H18N2/c1-8(2,3)7-4-9-6-10-5-7/h7,9-10H,4-6H2,1-3H3
InChIKeyFEWBJWNZOUVMIE-UHFFFAOYSA-N
MW142.25 g/mol
LogP0.80
Rot. Bonds

About 5-tert-butyl-1,3-diazinane

5-tert-butyl-1,3-diazinane (PubChem CID 153432359) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is 5-tert-butyl-1,3-diazinane.

Molecular Properties

Compound Name5-tert-butyl-1,3-diazinane
PubChem CID153432359
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name5-tert-butyl-1,3-diazinane
SMILESCC(C)(C)C1CNCNC1
InChIInChI=1S/C8H18N2/c1-8(2,3)7-4-9-6-10-5-7/h7,9-10H,4-6H2,1-3H3
InChIKeyFEWBJWNZOUVMIE-UHFFFAOYSA-N
XLogP0.80
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1,3-diazinane?
The IUPAC name of 5-tert-butyl-1,3-diazinane (CID 153432359) is 5-tert-butyl-1,3-diazinane.
What is the SMILES notation for 5-tert-butyl-1,3-diazinane?
The canonical SMILES for 5-tert-butyl-1,3-diazinane is CC(C)(C)C1CNCNC1.
What is the InChIKey of 5-tert-butyl-1,3-diazinane?
The InChIKey is FEWBJWNZOUVMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2/c1-8(2,3)7-4-9-6-10-5-7/h7,9-10H,4-6H2,1-3H3.
What are the key properties of 5-tert-butyl-1,3-diazinane?
5-tert-butyl-1,3-diazinane has a molecular weight of 142.25 g/mol, XLogP of 0.80, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1,3-diazinane is sourced from PubChem (CID 153432359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).