N-methyl-1,4-dihydroazepin-7-imine

C7H10N2 — CID 142116843

IUPACN-methyl-1,4-dihydroazepin-7-imine
SMILESC/N=C1\C=CCC=CN1
InChIInChI=1S/C7H10N2/c1-8-7-5-3-2-4-6-9-7/h3-6H,2H2,1H3,(H,8,9)
InChIKeyIJJHXYJCVMGEQX-UHFFFAOYSA-N
MW122.17 g/mol
LogP1.08
Rot. Bonds

About N-methyl-1,4-dihydroazepin-7-imine

N-methyl-1,4-dihydroazepin-7-imine (PubChem CID 142116843) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is N-methyl-1,4-dihydroazepin-7-imine.

Molecular Properties

Compound NameN-methyl-1,4-dihydroazepin-7-imine
PubChem CID142116843
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC NameN-methyl-1,4-dihydroazepin-7-imine
SMILESC/N=C1\C=CCC=CN1
InChIInChI=1S/C7H10N2/c1-8-7-5-3-2-4-6-9-7/h3-6H,2H2,1H3,(H,8,9)
InChIKeyIJJHXYJCVMGEQX-UHFFFAOYSA-N
XLogP1.08
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4H-azepin-7-amine
CID 54474925
N-methyl-1,3-dihydroazepin-2-imine
CID 136209100
2-ethenyl-1H-1,3-diazepine
CID 56992451
4-methyl-4H-azepin-7-amine
CID 89012973
(Z)-3-amino-N-ethenyl-N'-methylprop-2-enimidamide
CID 89191764
(Z)-3-amino-N,N'-dimethylprop-2-enimidamide
CID 89277725
(Z)-N'-ethenyl-4-(methylamino)but-2-enimidamide
CID 89341002
N-[(Z)-but-1-enyl]-N'-methylethanimidamide
CID 89347354
N,N'-dimethylpent-2-enimidamide
CID 123169307
(4E)-2-methyl-1,6-dihydro-1,3-diazocine
CID 123209048
2,5-dimethyl-4,5-dihydro-1H-1,3-diazepine
CID 123227184
(E)-N-ethenyl-N'-methylbut-2-enimidamide
CID 123748127

Frequently Asked Questions

What is the IUPAC name of N-methyl-1,4-dihydroazepin-7-imine?
The IUPAC name of N-methyl-1,4-dihydroazepin-7-imine (CID 142116843) is N-methyl-1,4-dihydroazepin-7-imine.
What is the SMILES notation for N-methyl-1,4-dihydroazepin-7-imine?
The canonical SMILES for N-methyl-1,4-dihydroazepin-7-imine is C/N=C1\C=CCC=CN1.
What is the InChIKey of N-methyl-1,4-dihydroazepin-7-imine?
The InChIKey is IJJHXYJCVMGEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2/c1-8-7-5-3-2-4-6-9-7/h3-6H,2H2,1H3,(H,8,9).
What are the key properties of N-methyl-1,4-dihydroazepin-7-imine?
N-methyl-1,4-dihydroazepin-7-imine has a molecular weight of 122.17 g/mol, XLogP of 1.08, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1,4-dihydroazepin-7-imine is sourced from PubChem (CID 142116843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).