2,5-ditert-butyl-5-methyl-1,3-diazepine

C14H24N2 — CID 90949983

IUPAC2,5-ditert-butyl-5-methyl-1,3-diazepine
SMILESCC(C)(C)C1=NC=CC(C)(C(C)(C)C)C=N1
InChIInChI=1S/C14H24N2/c1-12(2,3)11-15-9-8-14(7,10-16-11)13(4,5)6/h8-10H,1-7H3
InChIKeyHMQGLYXSMHPRMP-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.08
Rot. Bonds

About 2,5-ditert-butyl-5-methyl-1,3-diazepine

2,5-ditert-butyl-5-methyl-1,3-diazepine (PubChem CID 90949983) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 2,5-ditert-butyl-5-methyl-1,3-diazepine.

Molecular Properties

Compound Name2,5-ditert-butyl-5-methyl-1,3-diazepine
PubChem CID90949983
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name2,5-ditert-butyl-5-methyl-1,3-diazepine
SMILESCC(C)(C)C1=NC=CC(C)(C(C)(C)C)C=N1
InChIInChI=1S/C14H24N2/c1-12(2,3)11-15-9-8-14(7,10-16-11)13(4,5)6/h8-10H,1-7H3
InChIKeyHMQGLYXSMHPRMP-UHFFFAOYSA-N
XLogP4.08
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-ditert-butyl-5-methyl-1,3-diazepine?
The IUPAC name of 2,5-ditert-butyl-5-methyl-1,3-diazepine (CID 90949983) is 2,5-ditert-butyl-5-methyl-1,3-diazepine.
What is the SMILES notation for 2,5-ditert-butyl-5-methyl-1,3-diazepine?
The canonical SMILES for 2,5-ditert-butyl-5-methyl-1,3-diazepine is CC(C)(C)C1=NC=CC(C)(C(C)(C)C)C=N1.
What is the InChIKey of 2,5-ditert-butyl-5-methyl-1,3-diazepine?
The InChIKey is HMQGLYXSMHPRMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-12(2,3)11-15-9-8-14(7,10-16-11)13(4,5)6/h8-10H,1-7H3.
What are the key properties of 2,5-ditert-butyl-5-methyl-1,3-diazepine?
2,5-ditert-butyl-5-methyl-1,3-diazepine has a molecular weight of 220.36 g/mol, XLogP of 4.08, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-ditert-butyl-5-methyl-1,3-diazepine is sourced from PubChem (CID 90949983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).