(1Z,2E,6Z)-4,5-dimethyl-4,5,8,9-tetrahydrodiazecine

C10H16N2 — CID 123708932

IUPAC(1Z,2E,6Z)-4,5-dimethyl-4,5,8,9-tetrahydrodiazecine
SMILESCC1/C=C\CC/C=N\N=C/C1C
InChIInChI=1S/C10H16N2/c1-9-6-4-3-5-7-11-12-8-10(9)2/h4,6-10H,3,5H2,1-2H3/b6-4-,11-7-,12-8-
InChIKeyNWFURDDNKZPVGT-NAMYJNEPSA-N
MW164.25 g/mol
LogP2.67
Rot. Bonds

About (1Z,2E,6Z)-4,5-dimethyl-4,5,8,9-tetrahydrodiazecine

(1Z,2E,6Z)-4,5-dimethyl-4,5,8,9-tetrahydrodiazecine (PubChem CID 123708932) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is (1Z,2E,6Z)-4,5-dimethyl-4,5,8,9-tetrahydrodiazecine.

Molecular Properties

Compound Name(1Z,2E,6Z)-4,5-dimethyl-4,5,8,9-tetrahydrodiazecine
PubChem CID123708932
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name(1Z,2E,6Z)-4,5-dimethyl-4,5,8,9-tetrahydrodiazecine
SMILESCC1/C=C\CC/C=N\N=C/C1C
InChIInChI=1S/C10H16N2/c1-9-6-4-3-5-7-11-12-8-10(9)2/h4,6-10H,3,5H2,1-2H3/b6-4-,11-7-,12-8-
InChIKeyNWFURDDNKZPVGT-NAMYJNEPSA-N
XLogP2.67
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1Z,2E,6Z)-4,5-dimethyl-4,5,8,9-tetrahydrodiazecine 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 (1Z,2E,6Z)-4,5-dimethyl-4,5,8,9-tetrahydrodiazecine?
The IUPAC name of (1Z,2E,6Z)-4,5-dimethyl-4,5,8,9-tetrahydrodiazecine (CID 123708932) is (1Z,2E,6Z)-4,5-dimethyl-4,5,8,9-tetrahydrodiazecine.
What is the SMILES notation for (1Z,2E,6Z)-4,5-dimethyl-4,5,8,9-tetrahydrodiazecine?
The canonical SMILES for (1Z,2E,6Z)-4,5-dimethyl-4,5,8,9-tetrahydrodiazecine is CC1/C=C\CC/C=N\N=C/C1C.
What is the InChIKey of (1Z,2E,6Z)-4,5-dimethyl-4,5,8,9-tetrahydrodiazecine?
The InChIKey is NWFURDDNKZPVGT-NAMYJNEPSA-N. The full InChI is InChI=1S/C10H16N2/c1-9-6-4-3-5-7-11-12-8-10(9)2/h4,6-10H,3,5H2,1-2H3/b6-4-,11-7-,12-8-.
What are the key properties of (1Z,2E,6Z)-4,5-dimethyl-4,5,8,9-tetrahydrodiazecine?
(1Z,2E,6Z)-4,5-dimethyl-4,5,8,9-tetrahydrodiazecine has a molecular weight of 164.25 g/mol, XLogP of 2.67, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,2E,6Z)-4,5-dimethyl-4,5,8,9-tetrahydrodiazecine is sourced from PubChem (CID 123708932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).