2,5,5,6-tetramethyl-1,3-diazepine

C9H14N2 — CID 142240687

IUPAC2,5,5,6-tetramethyl-1,3-diazepine
SMILESCC1=CN=C(C)N=CC1(C)C
InChIInChI=1S/C9H14N2/c1-7-5-10-8(2)11-6-9(7,3)4/h5-6H,1-4H3
InChIKeyQZLISEKOPRHNJW-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.42
Rot. Bonds

About 2,5,5,6-tetramethyl-1,3-diazepine

2,5,5,6-tetramethyl-1,3-diazepine (PubChem CID 142240687) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 2,5,5,6-tetramethyl-1,3-diazepine.

Molecular Properties

Compound Name2,5,5,6-tetramethyl-1,3-diazepine
PubChem CID142240687
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name2,5,5,6-tetramethyl-1,3-diazepine
SMILESCC1=CN=C(C)N=CC1(C)C
InChIInChI=1S/C9H14N2/c1-7-5-10-8(2)11-6-9(7,3)4/h5-6H,1-4H3
InChIKeyQZLISEKOPRHNJW-UHFFFAOYSA-N
XLogP2.42
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-tert-butyl-2H-pyrimidin-2-ide;rubidium(1+)
CID 59985775
2,5,5-Trimethyl-6-propyl-1,3-diazepine
CID 90981818
6-methyl-5H-1,3-diazepine
CID 123768170
6-Tert-butyl-1,4-diazacyclohepta-2,3,5,7-tetraene
CID 129179130
N'-[(E)-2,3-dimethylbut-1-enyl]-2-methyl-N-methylidenepropanimidamide
CID 134243981
2,6-dimethyl-5H-1,3-diazepine
CID 138718213
6-tert-butyl-5H-1,3-diazepine
CID 142225828
N-ethylidene-N'-[(E)-2-methylbut-1-enyl]methanimidamide
CID 142993068
ethane;6-ethyl-5H-1,3-diazepine
CID 164543086
CID 166114905
CID 166114905
2,2-dimethyl-N-methylidene-N'-[(E)-2,3,3-trimethylbut-1-enyl]propanimidamide
CID 166904645
N-methylidene-N'-[(E)-2,3,3-trimethylbut-1-enyl]cyclopropanecarboximidamide
CID 167004004

Frequently Asked Questions

What is the IUPAC name of 2,5,5,6-tetramethyl-1,3-diazepine?
The IUPAC name of 2,5,5,6-tetramethyl-1,3-diazepine (CID 142240687) is 2,5,5,6-tetramethyl-1,3-diazepine.
What is the SMILES notation for 2,5,5,6-tetramethyl-1,3-diazepine?
The canonical SMILES for 2,5,5,6-tetramethyl-1,3-diazepine is CC1=CN=C(C)N=CC1(C)C.
What is the InChIKey of 2,5,5,6-tetramethyl-1,3-diazepine?
The InChIKey is QZLISEKOPRHNJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-7-5-10-8(2)11-6-9(7,3)4/h5-6H,1-4H3.
What are the key properties of 2,5,5,6-tetramethyl-1,3-diazepine?
2,5,5,6-tetramethyl-1,3-diazepine has a molecular weight of 150.22 g/mol, XLogP of 2.42, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,5,6-tetramethyl-1,3-diazepine is sourced from PubChem (CID 142240687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).