2,4,4,6-tetramethyl-1,3-diazepine

C9H14N2 — CID 143585606

IUPAC2,4,4,6-tetramethyl-1,3-diazepine
SMILESCC1=CC(C)(C)N=C(C)N=C1
InChIInChI=1S/C9H14N2/c1-7-5-9(3,4)11-8(2)10-6-7/h5-6H,1-4H3
InChIKeyVWOWXTLINVZKRY-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.21
Rot. Bonds

About 2,4,4,6-tetramethyl-1,3-diazepine

2,4,4,6-tetramethyl-1,3-diazepine (PubChem CID 143585606) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 2,4,4,6-tetramethyl-1,3-diazepine.

Molecular Properties

Compound Name2,4,4,6-tetramethyl-1,3-diazepine
PubChem CID143585606
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name2,4,4,6-tetramethyl-1,3-diazepine
SMILESCC1=CC(C)(C)N=C(C)N=C1
InChIInChI=1S/C9H14N2/c1-7-5-9(3,4)11-8(2)10-6-7/h5-6H,1-4H3
InChIKeyVWOWXTLINVZKRY-UHFFFAOYSA-N
XLogP2.21
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 ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Fluoro-4-methyl-6-propan-2-yl-1,3-diazepine
CID 144503649
(3Z)-3-ethylidene-N-methylpyridin-2-imine
CID 68010675
N',3-dimethyl-N-methylidene-2,3-dihydropyridine-5-carboximidamide
CID 68309209
N-(3-methylbut-3-enyl)-3,4-dihydroazepin-2-imine
CID 123185222
N,4-dimethyl-3H-pyridin-6-imine
CID 123755468
4-methyl-6-propan-2-yl-4H-1,3-diazepine
CID 129200463
2-Tert-butyl-4,4,6-trimethyl-1,3-diazepine
CID 130390686
4,4-Dimethyl-1,3-diazepine
CID 134399062
6-Ethyl-4,4-dimethyl-1,3-diazepine
CID 137446249
6-ethyl-2-methyl-4H-1,3-diazepine
CID 141939938
2,5,7-trimethyl-4H-1,3-diazepine
CID 142010058
4,5-dimethyl-4H-1,3-diazepine
CID 142088261

Frequently Asked Questions

What is the IUPAC name of 2,4,4,6-tetramethyl-1,3-diazepine?
The IUPAC name of 2,4,4,6-tetramethyl-1,3-diazepine (CID 143585606) is 2,4,4,6-tetramethyl-1,3-diazepine.
What is the SMILES notation for 2,4,4,6-tetramethyl-1,3-diazepine?
The canonical SMILES for 2,4,4,6-tetramethyl-1,3-diazepine is CC1=CC(C)(C)N=C(C)N=C1.
What is the InChIKey of 2,4,4,6-tetramethyl-1,3-diazepine?
The InChIKey is VWOWXTLINVZKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-7-5-9(3,4)11-8(2)10-6-7/h5-6H,1-4H3.
What are the key properties of 2,4,4,6-tetramethyl-1,3-diazepine?
2,4,4,6-tetramethyl-1,3-diazepine has a molecular weight of 150.22 g/mol, XLogP of 2.21, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4,6-tetramethyl-1,3-diazepine is sourced from PubChem (CID 143585606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).