2,2,4-trimethyl-3-methylidene-1,5-dihydro-1,4-diazepine

C9H16N2 — CID 89005801

IUPAC2,2,4-trimethyl-3-methylidene-1,5-dihydro-1,4-diazepine
SMILESC=C1N(C)CC=CNC1(C)C
InChIInChI=1S/C9H16N2/c1-8-9(2,3)10-6-5-7-11(8)4/h5-6,10H,1,7H2,2-4H3
InChIKeyHSAJWINAKKFTKA-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.33
Rot. Bonds

About 2,2,4-trimethyl-3-methylidene-1,5-dihydro-1,4-diazepine

2,2,4-trimethyl-3-methylidene-1,5-dihydro-1,4-diazepine (PubChem CID 89005801) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 2,2,4-trimethyl-3-methylidene-1,5-dihydro-1,4-diazepine.

Molecular Properties

Compound Name2,2,4-trimethyl-3-methylidene-1,5-dihydro-1,4-diazepine
PubChem CID89005801
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name2,2,4-trimethyl-3-methylidene-1,5-dihydro-1,4-diazepine
SMILESC=C1N(C)CC=CNC1(C)C
InChIInChI=1S/C9H16N2/c1-8-9(2,3)10-6-5-7-11(8)4/h5-6,10H,1,7H2,2-4H3
InChIKeyHSAJWINAKKFTKA-UHFFFAOYSA-N
XLogP1.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,2,4-trimethyl-3-methylidene-1,5-dihydro-1,4-diazepine 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 2,2,4-trimethyl-3-methylidene-1,5-dihydro-1,4-diazepine?
The IUPAC name of 2,2,4-trimethyl-3-methylidene-1,5-dihydro-1,4-diazepine (CID 89005801) is 2,2,4-trimethyl-3-methylidene-1,5-dihydro-1,4-diazepine.
What is the SMILES notation for 2,2,4-trimethyl-3-methylidene-1,5-dihydro-1,4-diazepine?
The canonical SMILES for 2,2,4-trimethyl-3-methylidene-1,5-dihydro-1,4-diazepine is C=C1N(C)CC=CNC1(C)C.
What is the InChIKey of 2,2,4-trimethyl-3-methylidene-1,5-dihydro-1,4-diazepine?
The InChIKey is HSAJWINAKKFTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-8-9(2,3)10-6-5-7-11(8)4/h5-6,10H,1,7H2,2-4H3.
What are the key properties of 2,2,4-trimethyl-3-methylidene-1,5-dihydro-1,4-diazepine?
2,2,4-trimethyl-3-methylidene-1,5-dihydro-1,4-diazepine has a molecular weight of 152.24 g/mol, XLogP of 1.33, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethyl-3-methylidene-1,5-dihydro-1,4-diazepine is sourced from PubChem (CID 89005801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).