2,4,6-trimethyl-4H-1,3-diazepine

C8H12N2 — CID 142223515

IUPAC2,4,6-trimethyl-4H-1,3-diazepine
SMILESCC1=CC(C)N=C(C)N=C1
InChIInChI=1S/C8H12N2/c1-6-4-7(2)10-8(3)9-5-6/h4-5,7H,1-3H3
InChIKeyAEBXKUJZBNNZFK-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.82
Rot. Bonds

About 2,4,6-trimethyl-4H-1,3-diazepine

2,4,6-trimethyl-4H-1,3-diazepine (PubChem CID 142223515) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 2,4,6-trimethyl-4H-1,3-diazepine.

Molecular Properties

Compound Name2,4,6-trimethyl-4H-1,3-diazepine
PubChem CID142223515
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name2,4,6-trimethyl-4H-1,3-diazepine
SMILESCC1=CC(C)N=C(C)N=C1
InChIInChI=1S/C8H12N2/c1-6-4-7(2)10-8(3)9-5-6/h4-5,7H,1-3H3
InChIKeyAEBXKUJZBNNZFK-UHFFFAOYSA-N
XLogP1.82
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.82
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
4-but-2-enyl-5-methylidene-4H-pyrimidine
CID 123267022
5-but-2-enylidene-4-methyl-4H-pyrimidine
CID 123720032
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

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-4H-1,3-diazepine?
The IUPAC name of 2,4,6-trimethyl-4H-1,3-diazepine (CID 142223515) is 2,4,6-trimethyl-4H-1,3-diazepine.
What is the SMILES notation for 2,4,6-trimethyl-4H-1,3-diazepine?
The canonical SMILES for 2,4,6-trimethyl-4H-1,3-diazepine is CC1=CC(C)N=C(C)N=C1.
What is the InChIKey of 2,4,6-trimethyl-4H-1,3-diazepine?
The InChIKey is AEBXKUJZBNNZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-6-4-7(2)10-8(3)9-5-6/h4-5,7H,1-3H3.
What are the key properties of 2,4,6-trimethyl-4H-1,3-diazepine?
2,4,6-trimethyl-4H-1,3-diazepine has a molecular weight of 136.20 g/mol, XLogP of 1.82, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-4H-1,3-diazepine is sourced from PubChem (CID 142223515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).