5-methyl-6-methylidene-1,2,3,7-tetrahydro-1,4-diazepine

C7H12N2 — CID 58984556

IUPAC5-methyl-6-methylidene-1,2,3,7-tetrahydro-1,4-diazepine
SMILESC=C1CNCCN=C1C
InChIInChI=1S/C7H12N2/c1-6-5-8-3-4-9-7(6)2/h8H,1,3-5H2,2H3
InChIKeyNILHHIPQJGADIS-UHFFFAOYSA-N
MW124.19 g/mol
LogP0.61
Rot. Bonds

About 5-methyl-6-methylidene-1,2,3,7-tetrahydro-1,4-diazepine

5-methyl-6-methylidene-1,2,3,7-tetrahydro-1,4-diazepine (PubChem CID 58984556) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 5-methyl-6-methylidene-1,2,3,7-tetrahydro-1,4-diazepine.

Molecular Properties

Compound Name5-methyl-6-methylidene-1,2,3,7-tetrahydro-1,4-diazepine
PubChem CID58984556
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name5-methyl-6-methylidene-1,2,3,7-tetrahydro-1,4-diazepine
SMILESC=C1CNCCN=C1C
InChIInChI=1S/C7H12N2/c1-6-5-8-3-4-9-7(6)2/h8H,1,3-5H2,2H3
InChIKeyNILHHIPQJGADIS-UHFFFAOYSA-N
XLogP0.61
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-imino-N-methyl-2-methylidenebutan-1-amine
CID 123946454
(Z)-2-(2,3,6,7-tetrahydro-1H-1,4-diazepin-5-yl)prop-1-en-1-amine
CID 178131377
N-methyl-4-methylidenepyrrolidin-3-imine
CID 145048033
(Z)-2-(C,N-dimethylcarbonimidoyl)-N'-methylprop-1-ene-1,3-diamine
CID 148562153

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-methylidene-1,2,3,7-tetrahydro-1,4-diazepine?
The IUPAC name of 5-methyl-6-methylidene-1,2,3,7-tetrahydro-1,4-diazepine (CID 58984556) is 5-methyl-6-methylidene-1,2,3,7-tetrahydro-1,4-diazepine.
What is the SMILES notation for 5-methyl-6-methylidene-1,2,3,7-tetrahydro-1,4-diazepine?
The canonical SMILES for 5-methyl-6-methylidene-1,2,3,7-tetrahydro-1,4-diazepine is C=C1CNCCN=C1C.
What is the InChIKey of 5-methyl-6-methylidene-1,2,3,7-tetrahydro-1,4-diazepine?
The InChIKey is NILHHIPQJGADIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-6-5-8-3-4-9-7(6)2/h8H,1,3-5H2,2H3.
What are the key properties of 5-methyl-6-methylidene-1,2,3,7-tetrahydro-1,4-diazepine?
5-methyl-6-methylidene-1,2,3,7-tetrahydro-1,4-diazepine has a molecular weight of 124.19 g/mol, XLogP of 0.61, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-methylidene-1,2,3,7-tetrahydro-1,4-diazepine is sourced from PubChem (CID 58984556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).