3,5,5-trimethyl-1,4-diazepine

C8H12N2 — CID 143263117

IUPAC3,5,5-trimethyl-1,4-diazepine
SMILESCC1=NC(C)(C)C=CN=C1
InChIInChI=1S/C8H12N2/c1-7-6-9-5-4-8(2,3)10-7/h4-6H,1-3H3
InChIKeyUUURRLAJGMCICA-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.82
Rot. Bonds

About 3,5,5-trimethyl-1,4-diazepine

3,5,5-trimethyl-1,4-diazepine (PubChem CID 143263117) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 3,5,5-trimethyl-1,4-diazepine.

Molecular Properties

Compound Name3,5,5-trimethyl-1,4-diazepine
PubChem CID143263117
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name3,5,5-trimethyl-1,4-diazepine
SMILESCC1=NC(C)(C)C=CN=C1
InChIInChI=1S/C8H12N2/c1-7-6-9-5-4-8(2,3)10-7/h4-6H,1-3H3
InChIKeyUUURRLAJGMCICA-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

2-propan-2-yl-5H-1,4-diazepine
CID 68166043
3-methyl-5H-1,4-diazepine
CID 90266782
1-N-ethenyl-3-methyl-2-N-[(Z)-prop-1-enyl]but-3-ene-1,2-diimine
CID 117758407
5-But-1-enyl-5-methyl-1,4-diazepine
CID 123256300
3,5-dimethyl-5H-1,4-diazepine
CID 123324700
2,2,7,7-Tetramethyl-1,5-diazocine
CID 123428503
2-methyl-5H-1,4-diazepine
CID 123498938
2,2-Dimethyl-7,8-dihydro-1,5-diazonine
CID 123571290
5,5-Dimethyl-1,4-diazepine
CID 123685984
5-Ethyl-5-methyl-1,4-diazepine
CID 123711485
N-[2-methyl-4-(methylideneamino)but-3-en-2-yl]propan-1-imine
CID 124003356
2,2,7-Trimethyl-1,4-diazepine
CID 129075640

Frequently Asked Questions

What is the IUPAC name of 3,5,5-trimethyl-1,4-diazepine?
The IUPAC name of 3,5,5-trimethyl-1,4-diazepine (CID 143263117) is 3,5,5-trimethyl-1,4-diazepine.
What is the SMILES notation for 3,5,5-trimethyl-1,4-diazepine?
The canonical SMILES for 3,5,5-trimethyl-1,4-diazepine is CC1=NC(C)(C)C=CN=C1.
What is the InChIKey of 3,5,5-trimethyl-1,4-diazepine?
The InChIKey is UUURRLAJGMCICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-7-6-9-5-4-8(2,3)10-7/h4-6H,1-3H3.
What are the key properties of 3,5,5-trimethyl-1,4-diazepine?
3,5,5-trimethyl-1,4-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 3,5,5-trimethyl-1,4-diazepine is sourced from PubChem (CID 143263117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).