4-tert-butyl-4-methyl-1,3-diazepine

C10H16N2 — CID 142453676

IUPAC4-tert-butyl-4-methyl-1,3-diazepine
SMILESCC(C)(C)C1(C)C=CC=NC=N1
InChIInChI=1S/C10H16N2/c1-9(2,3)10(4)6-5-7-11-8-12-10/h5-8H,1-4H3
InChIKeyZANYQVGPIGITKS-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.46
Rot. Bonds

About 4-tert-butyl-4-methyl-1,3-diazepine

4-tert-butyl-4-methyl-1,3-diazepine (PubChem CID 142453676) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 4-tert-butyl-4-methyl-1,3-diazepine.

Molecular Properties

Compound Name4-tert-butyl-4-methyl-1,3-diazepine
PubChem CID142453676
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name4-tert-butyl-4-methyl-1,3-diazepine
SMILESCC(C)(C)C1(C)C=CC=NC=N1
InChIInChI=1S/C10H16N2/c1-9(2,3)10(4)6-5-7-11-8-12-10/h5-8H,1-4H3
InChIKeyZANYQVGPIGITKS-UHFFFAOYSA-N
XLogP2.46
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-4-methyl-1,3-diazepine?
The IUPAC name of 4-tert-butyl-4-methyl-1,3-diazepine (CID 142453676) is 4-tert-butyl-4-methyl-1,3-diazepine.
What is the SMILES notation for 4-tert-butyl-4-methyl-1,3-diazepine?
The canonical SMILES for 4-tert-butyl-4-methyl-1,3-diazepine is CC(C)(C)C1(C)C=CC=NC=N1.
What is the InChIKey of 4-tert-butyl-4-methyl-1,3-diazepine?
The InChIKey is ZANYQVGPIGITKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-9(2,3)10(4)6-5-7-11-8-12-10/h5-8H,1-4H3.
What are the key properties of 4-tert-butyl-4-methyl-1,3-diazepine?
4-tert-butyl-4-methyl-1,3-diazepine has a molecular weight of 164.25 g/mol, XLogP of 2.46, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-4-methyl-1,3-diazepine is sourced from PubChem (CID 142453676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).