2-ethyl-N-methyl-1,2-dihydroazepin-7-imine

C9H14N2 — CID 137072858

IUPAC2-ethyl-N-methyl-1,2-dihydroazepin-7-imine
SMILESCCC1C=CC=C/C(=N\C)N1
InChIInChI=1S/C9H14N2/c1-3-8-6-4-5-7-9(10-2)11-8/h4-8H,3H2,1-2H3,(H,10,11)
InChIKeyNFBHPCQZVNXTNS-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.51
Rot. Bonds1

About 2-ethyl-N-methyl-1,2-dihydroazepin-7-imine

2-ethyl-N-methyl-1,2-dihydroazepin-7-imine (PubChem CID 137072858) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 2-ethyl-N-methyl-1,2-dihydroazepin-7-imine.

Molecular Properties

Compound Name2-ethyl-N-methyl-1,2-dihydroazepin-7-imine
PubChem CID137072858
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name2-ethyl-N-methyl-1,2-dihydroazepin-7-imine
SMILESCCC1C=CC=C/C(=N\C)N1
InChIInChI=1S/C9H14N2/c1-3-8-6-4-5-7-9(10-2)11-8/h4-8H,3H2,1-2H3,(H,10,11)
InChIKeyNFBHPCQZVNXTNS-UHFFFAOYSA-N
XLogP1.51
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-ethyl-N-methyl-1,2-dihydroazepin-7-imine?
The IUPAC name of 2-ethyl-N-methyl-1,2-dihydroazepin-7-imine (CID 137072858) is 2-ethyl-N-methyl-1,2-dihydroazepin-7-imine.
What is the SMILES notation for 2-ethyl-N-methyl-1,2-dihydroazepin-7-imine?
The canonical SMILES for 2-ethyl-N-methyl-1,2-dihydroazepin-7-imine is CCC1C=CC=C/C(=N\C)N1.
What is the InChIKey of 2-ethyl-N-methyl-1,2-dihydroazepin-7-imine?
The InChIKey is NFBHPCQZVNXTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-3-8-6-4-5-7-9(10-2)11-8/h4-8H,3H2,1-2H3,(H,10,11).
What are the key properties of 2-ethyl-N-methyl-1,2-dihydroazepin-7-imine?
2-ethyl-N-methyl-1,2-dihydroazepin-7-imine has a molecular weight of 150.22 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-methyl-1,2-dihydroazepin-7-imine is sourced from PubChem (CID 137072858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).