6-methyl-6H-1,4-diazepine

C6H8N2 — CID 143347492

IUPAC6-methyl-6H-1,4-diazepine
SMILESCC1C=NC=CN=C1
InChIInChI=1S/C6H8N2/c1-6-4-7-2-3-8-5-6/h2-6H,1H3
InChIKeyNPRLDCJTUGTMLS-UHFFFAOYSA-N
MW108.14 g/mol
LogP1.25
Rot. Bonds

About 6-methyl-6H-1,4-diazepine

6-methyl-6H-1,4-diazepine (PubChem CID 143347492) has the molecular formula C6H8N2 and a molecular weight of 108.14 g/mol. Its IUPAC name is 6-methyl-6H-1,4-diazepine.

Molecular Properties

Compound Name6-methyl-6H-1,4-diazepine
PubChem CID143347492
Molecular FormulaC6H8N2
Molecular Weight108.14 g/mol
Exact Mass108.07
IUPAC Name6-methyl-6H-1,4-diazepine
SMILESCC1C=NC=CN=C1
InChIInChI=1S/C6H8N2/c1-6-4-7-2-3-8-5-6/h2-6H,1H3
InChIKeyNPRLDCJTUGTMLS-UHFFFAOYSA-N
XLogP1.25
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.14
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6H-1,4-Diazepine
CID 53438770
N-[(Z)-2-fluoroethenyl]-2-methylpropan-1-imine
CID 123799687
N-ethenylpropan-1-imine
CID 13099159
N-ethenyl-2-methylpropan-1-imine
CID 14792733
N-ethenyl-3-methylbutan-1-imine
CID 14792734
2-methyl-N-[(Z)-prop-1-enyl]propan-1-imine
CID 88879025
2-N-ethenyl-1-N-methylpropane-1,2-diimine
CID 88929902
6-propan-2-yl-6H-1,4-diazepine
CID 89595394
6,6-Dimethyl-1,4-diazepine
CID 91456186
2-methyl-N-[(E)-prop-1-enyl]propan-1-imine
CID 102268095
1-N-ethenyl-2-N-ethylpropane-1,2-diimine
CID 122418756
N-[(Z)-2-(ethylideneamino)ethenyl]butan-1-imine
CID 122667549

Frequently Asked Questions

What is the IUPAC name of 6-methyl-6H-1,4-diazepine?
The IUPAC name of 6-methyl-6H-1,4-diazepine (CID 143347492) is 6-methyl-6H-1,4-diazepine.
What is the SMILES notation for 6-methyl-6H-1,4-diazepine?
The canonical SMILES for 6-methyl-6H-1,4-diazepine is CC1C=NC=CN=C1.
What is the InChIKey of 6-methyl-6H-1,4-diazepine?
The InChIKey is NPRLDCJTUGTMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2/c1-6-4-7-2-3-8-5-6/h2-6H,1H3.
What are the key properties of 6-methyl-6H-1,4-diazepine?
6-methyl-6H-1,4-diazepine has a molecular weight of 108.14 g/mol, XLogP of 1.25, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-6H-1,4-diazepine is sourced from PubChem (CID 143347492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).