1-tert-butyl-3-ethyl-1,3-diazetidine

C8H18N2 — CID 167026910

IUPAC1-tert-butyl-3-ethyl-1,3-diazetidine
SMILESCCN1CN(C(C)(C)C)C1
InChIInChI=1S/C8H18N2/c1-5-9-6-10(7-9)8(2,3)4/h5-7H2,1-4H3
InChIKeyPXQYXHXQZRSDQL-UHFFFAOYSA-N
MW142.25 g/mol
LogP1.34
Rot. Bonds1

About 1-tert-butyl-3-ethyl-1,3-diazetidine

1-tert-butyl-3-ethyl-1,3-diazetidine (PubChem CID 167026910) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is 1-tert-butyl-3-ethyl-1,3-diazetidine.

Molecular Properties

Compound Name1-tert-butyl-3-ethyl-1,3-diazetidine
PubChem CID167026910
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name1-tert-butyl-3-ethyl-1,3-diazetidine
SMILESCCN1CN(C(C)(C)C)C1
InChIInChI=1S/C8H18N2/c1-5-9-6-10(7-9)8(2,3)4/h5-7H2,1-4H3
InChIKeyPXQYXHXQZRSDQL-UHFFFAOYSA-N
XLogP1.34
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-ethyl-1,3-diazetidine?
The IUPAC name of 1-tert-butyl-3-ethyl-1,3-diazetidine (CID 167026910) is 1-tert-butyl-3-ethyl-1,3-diazetidine.
What is the SMILES notation for 1-tert-butyl-3-ethyl-1,3-diazetidine?
The canonical SMILES for 1-tert-butyl-3-ethyl-1,3-diazetidine is CCN1CN(C(C)(C)C)C1.
What is the InChIKey of 1-tert-butyl-3-ethyl-1,3-diazetidine?
The InChIKey is PXQYXHXQZRSDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2/c1-5-9-6-10(7-9)8(2,3)4/h5-7H2,1-4H3.
What are the key properties of 1-tert-butyl-3-ethyl-1,3-diazetidine?
1-tert-butyl-3-ethyl-1,3-diazetidine has a molecular weight of 142.25 g/mol, XLogP of 1.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-ethyl-1,3-diazetidine is sourced from PubChem (CID 167026910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).