2,6-dimethyl-1,2-dihydro-1,4-diazepin-7-imine

C7H11N3 — CID 176548006

IUPAC2,6-dimethyl-1,2-dihydro-1,4-diazepin-7-imine
SMILES[H]/N=C1\NC(C)C=NC=C1C
InChIInChI=1S/C7H11N3/c1-5-3-9-4-6(2)10-7(5)8/h3-4,6H,1-2H3,(H2,8,10)
InChIKeyGPEQXBCPWPJONW-UHFFFAOYSA-N
MW137.19 g/mol
LogP0.93
Rot. Bonds

About 2,6-dimethyl-1,2-dihydro-1,4-diazepin-7-imine

2,6-dimethyl-1,2-dihydro-1,4-diazepin-7-imine (PubChem CID 176548006) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is 2,6-dimethyl-1,2-dihydro-1,4-diazepin-7-imine.

Molecular Properties

Compound Name2,6-dimethyl-1,2-dihydro-1,4-diazepin-7-imine
PubChem CID176548006
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name2,6-dimethyl-1,2-dihydro-1,4-diazepin-7-imine
SMILES[H]/N=C1\NC(C)C=NC=C1C
InChIInChI=1S/C7H11N3/c1-5-3-9-4-6(2)10-7(5)8/h3-4,6H,1-2H3,(H2,8,10)
InChIKeyGPEQXBCPWPJONW-UHFFFAOYSA-N
XLogP0.93
TPSA48.24 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-1,2-dihydro-1,4-diazepin-7-imine?
The IUPAC name of 2,6-dimethyl-1,2-dihydro-1,4-diazepin-7-imine (CID 176548006) is 2,6-dimethyl-1,2-dihydro-1,4-diazepin-7-imine.
What is the SMILES notation for 2,6-dimethyl-1,2-dihydro-1,4-diazepin-7-imine?
The canonical SMILES for 2,6-dimethyl-1,2-dihydro-1,4-diazepin-7-imine is [H]/N=C1\NC(C)C=NC=C1C.
What is the InChIKey of 2,6-dimethyl-1,2-dihydro-1,4-diazepin-7-imine?
The InChIKey is GPEQXBCPWPJONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3/c1-5-3-9-4-6(2)10-7(5)8/h3-4,6H,1-2H3,(H2,8,10).
What are the key properties of 2,6-dimethyl-1,2-dihydro-1,4-diazepin-7-imine?
2,6-dimethyl-1,2-dihydro-1,4-diazepin-7-imine has a molecular weight of 137.19 g/mol, XLogP of 0.93, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-1,2-dihydro-1,4-diazepin-7-imine is sourced from PubChem (CID 176548006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).