N,3,6-trimethyl-1,3-dihydroazepin-2-imine

C9H14N2 — CID 137084627

IUPACN,3,6-trimethyl-1,3-dihydroazepin-2-imine
SMILESC/N=C1\NC=C(C)C=CC1C
InChIInChI=1S/C9H14N2/c1-7-4-5-8(2)9(10-3)11-6-7/h4-6,8H,1-3H3,(H,10,11)
InChIKeyBZDALYJWIOOQMJ-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.71
Rot. Bonds

About N,3,6-trimethyl-1,3-dihydroazepin-2-imine

N,3,6-trimethyl-1,3-dihydroazepin-2-imine (PubChem CID 137084627) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is N,3,6-trimethyl-1,3-dihydroazepin-2-imine.

Molecular Properties

Compound NameN,3,6-trimethyl-1,3-dihydroazepin-2-imine
PubChem CID137084627
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC NameN,3,6-trimethyl-1,3-dihydroazepin-2-imine
SMILESC/N=C1\NC=C(C)C=CC1C
InChIInChI=1S/C9H14N2/c1-7-4-5-8(2)9(10-3)11-6-7/h4-6,8H,1-3H3,(H,10,11)
InChIKeyBZDALYJWIOOQMJ-UHFFFAOYSA-N
XLogP1.71
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N,3,6-trimethyl-1,3-dihydroazepin-2-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,3,6-trimethyl-1,3-dihydroazepin-2-imine?
The IUPAC name of N,3,6-trimethyl-1,3-dihydroazepin-2-imine (CID 137084627) is N,3,6-trimethyl-1,3-dihydroazepin-2-imine.
What is the SMILES notation for N,3,6-trimethyl-1,3-dihydroazepin-2-imine?
The canonical SMILES for N,3,6-trimethyl-1,3-dihydroazepin-2-imine is C/N=C1\NC=C(C)C=CC1C.
What is the InChIKey of N,3,6-trimethyl-1,3-dihydroazepin-2-imine?
The InChIKey is BZDALYJWIOOQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-7-4-5-8(2)9(10-3)11-6-7/h4-6,8H,1-3H3,(H,10,11).
What are the key properties of N,3,6-trimethyl-1,3-dihydroazepin-2-imine?
N,3,6-trimethyl-1,3-dihydroazepin-2-imine has a molecular weight of 150.22 g/mol, XLogP of 1.71, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,6-trimethyl-1,3-dihydroazepin-2-imine is sourced from PubChem (CID 137084627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).