1,2,2,5-tetramethyl-5H-1,4-diazepine

C9H16N2 — CID 155054314

IUPAC1,2,2,5-tetramethyl-5H-1,4-diazepine
SMILESCC1C=CN(C)C(C)(C)C=N1
InChIInChI=1S/C9H16N2/c1-8-5-6-11(4)9(2,3)7-10-8/h5-8H,1-4H3
InChIKeyKQQXDXQHEXKXOW-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.68
Rot. Bonds

About 1,2,2,5-tetramethyl-5H-1,4-diazepine

1,2,2,5-tetramethyl-5H-1,4-diazepine (PubChem CID 155054314) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 1,2,2,5-tetramethyl-5H-1,4-diazepine.

Molecular Properties

Compound Name1,2,2,5-tetramethyl-5H-1,4-diazepine
PubChem CID155054314
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name1,2,2,5-tetramethyl-5H-1,4-diazepine
SMILESCC1C=CN(C)C(C)(C)C=N1
InChIInChI=1S/C9H16N2/c1-8-5-6-11(4)9(2,3)7-10-8/h5-8H,1-4H3
InChIKeyKQQXDXQHEXKXOW-UHFFFAOYSA-N
XLogP1.68
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,2,5-tetramethyl-5H-1,4-diazepine?
The IUPAC name of 1,2,2,5-tetramethyl-5H-1,4-diazepine (CID 155054314) is 1,2,2,5-tetramethyl-5H-1,4-diazepine.
What is the SMILES notation for 1,2,2,5-tetramethyl-5H-1,4-diazepine?
The canonical SMILES for 1,2,2,5-tetramethyl-5H-1,4-diazepine is CC1C=CN(C)C(C)(C)C=N1.
What is the InChIKey of 1,2,2,5-tetramethyl-5H-1,4-diazepine?
The InChIKey is KQQXDXQHEXKXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-8-5-6-11(4)9(2,3)7-10-8/h5-8H,1-4H3.
What are the key properties of 1,2,2,5-tetramethyl-5H-1,4-diazepine?
1,2,2,5-tetramethyl-5H-1,4-diazepine has a molecular weight of 152.24 g/mol, XLogP of 1.68, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,5-tetramethyl-5H-1,4-diazepine is sourced from PubChem (CID 155054314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).