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

C7H12N2 — CID 170265070

IUPAC4-methyl-7-methylidene-1,4,5,6-tetrahydro-1,3-diazepine
SMILESC=C1CCC(C)N=CN1
InChIInChI=1S/C7H12N2/c1-6-3-4-7(2)9-5-8-6/h5,7H,1,3-4H2,2H3,(H,8,9)
InChIKeyQWLQUTRAHHDDIC-UHFFFAOYSA-N
MW124.19 g/mol
LogP1.30
Rot. Bonds

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

4-methyl-7-methylidene-1,4,5,6-tetrahydro-1,3-diazepine (PubChem CID 170265070) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 4-methyl-7-methylidene-1,4,5,6-tetrahydro-1,3-diazepine.

Molecular Properties

Compound Name4-methyl-7-methylidene-1,4,5,6-tetrahydro-1,3-diazepine
PubChem CID170265070
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name4-methyl-7-methylidene-1,4,5,6-tetrahydro-1,3-diazepine
SMILESC=C1CCC(C)N=CN1
InChIInChI=1S/C7H12N2/c1-6-3-4-7(2)9-5-8-6/h5,7H,1,3-4H2,2H3,(H,8,9)
InChIKeyQWLQUTRAHHDDIC-UHFFFAOYSA-N
XLogP1.30
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 ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-methylidene-1,4,5,6-tetrahydro-1,3-diazepine?
The IUPAC name of 4-methyl-7-methylidene-1,4,5,6-tetrahydro-1,3-diazepine (CID 170265070) is 4-methyl-7-methylidene-1,4,5,6-tetrahydro-1,3-diazepine.
What is the SMILES notation for 4-methyl-7-methylidene-1,4,5,6-tetrahydro-1,3-diazepine?
The canonical SMILES for 4-methyl-7-methylidene-1,4,5,6-tetrahydro-1,3-diazepine is C=C1CCC(C)N=CN1.
What is the InChIKey of 4-methyl-7-methylidene-1,4,5,6-tetrahydro-1,3-diazepine?
The InChIKey is QWLQUTRAHHDDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-6-3-4-7(2)9-5-8-6/h5,7H,1,3-4H2,2H3,(H,8,9).
What are the key properties of 4-methyl-7-methylidene-1,4,5,6-tetrahydro-1,3-diazepine?
4-methyl-7-methylidene-1,4,5,6-tetrahydro-1,3-diazepine has a molecular weight of 124.19 g/mol, XLogP of 1.30, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-methylidene-1,4,5,6-tetrahydro-1,3-diazepine is sourced from PubChem (CID 170265070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).