2-methyl-5H-1,4-diazepine

C6H8N2 — CID 123498938

IUPAC2-methyl-5H-1,4-diazepine
SMILESCC1=NC=CCN=C1
InChIInChI=1S/C6H8N2/c1-6-5-7-3-2-4-8-6/h2,4-5H,3H2,1H3
InChIKeyZTPSTIBISBMMMW-UHFFFAOYSA-N
MW108.14 g/mol
LogP1.05
Rot. Bonds

About 2-methyl-5H-1,4-diazepine

2-methyl-5H-1,4-diazepine (PubChem CID 123498938) has the molecular formula C6H8N2 and a molecular weight of 108.14 g/mol. Its IUPAC name is 2-methyl-5H-1,4-diazepine.

Molecular Properties

Compound Name2-methyl-5H-1,4-diazepine
PubChem CID123498938
Molecular FormulaC6H8N2
Molecular Weight108.14 g/mol
Exact Mass108.07
IUPAC Name2-methyl-5H-1,4-diazepine
SMILESCC1=NC=CCN=C1
InChIInChI=1S/C6H8N2/c1-6-5-7-3-2-4-8-6/h2,4-5H,3H2,1H3
InChIKeyZTPSTIBISBMMMW-UHFFFAOYSA-N
XLogP1.05
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 ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1E)-N-(Prop-1-en-1-yl)propan-1-imine
CID 54113889
N-[(Z)-prop-1-enyl]butan-2-imine
CID 11126202
N-[(E)-prop-1-enyl]propan-1-imine
CID 12603153
5H-1,4-Diazepine
CID 53438965
1-Methyl-2,5-dihydro-1,4-diazepine
CID 53646225
N-methyl-4H-pyridin-3-imine
CID 67496115
2-propan-2-yl-5H-1,4-diazepine
CID 68166043
(2E)-N-(Prop-1-en-1-yl)butan-2-imine
CID 71349500
N-[(E)-prop-1-enyl]butan-2-imine
CID 87071406
2-N-[(Z)-prop-1-enyl]propane-1,2-diimine
CID 88539325
2-N-ethenyl-1-N-methylpropane-1,2-diimine
CID 88929902
3-methyl-2H-1,4-diazepine
CID 89043963

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5H-1,4-diazepine?
The IUPAC name of 2-methyl-5H-1,4-diazepine (CID 123498938) is 2-methyl-5H-1,4-diazepine.
What is the SMILES notation for 2-methyl-5H-1,4-diazepine?
The canonical SMILES for 2-methyl-5H-1,4-diazepine is CC1=NC=CCN=C1.
What is the InChIKey of 2-methyl-5H-1,4-diazepine?
The InChIKey is ZTPSTIBISBMMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2/c1-6-5-7-3-2-4-8-6/h2,4-5H,3H2,1H3.
What are the key properties of 2-methyl-5H-1,4-diazepine?
2-methyl-5H-1,4-diazepine has a molecular weight of 108.14 g/mol, XLogP of 1.05, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5H-1,4-diazepine is sourced from PubChem (CID 123498938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).