5,5-dimethyl-1,4-diazepine

C7H10N2 — CID 123685984

IUPAC5,5-dimethyl-1,4-diazepine
SMILESCC1(C)C=CN=CC=N1
InChIInChI=1S/C7H10N2/c1-7(2)3-4-8-5-6-9-7/h3-6H,1-2H3
InChIKeySBIUXQMAXWPTBX-UHFFFAOYSA-N
MW122.17 g/mol
LogP1.43
Rot. Bonds

About 5,5-dimethyl-1,4-diazepine

5,5-dimethyl-1,4-diazepine (PubChem CID 123685984) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 5,5-dimethyl-1,4-diazepine.

Molecular Properties

Compound Name5,5-dimethyl-1,4-diazepine
PubChem CID123685984
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name5,5-dimethyl-1,4-diazepine
SMILESCC1(C)C=CN=CC=N1
InChIInChI=1S/C7H10N2/c1-7(2)3-4-8-5-6-9-7/h3-6H,1-2H3
InChIKeySBIUXQMAXWPTBX-UHFFFAOYSA-N
XLogP1.43
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5,5-dimethyl-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

Related Compounds

5-methyl-5H-1,4-diazepine
CID 89283775
2,2-Dimethyl-1,4-diazepine
CID 123193935
5-But-1-enyl-5-methyl-1,4-diazepine
CID 123256300
3,5-dimethyl-5H-1,4-diazepine
CID 123324700
2,2-Dimethyl-7,8-dihydro-1,5-diazonine
CID 123571290
5-Ethyl-5-methyl-1,4-diazepine
CID 123711485
N-[2-methyl-4-(methylideneamino)but-3-en-2-yl]propan-1-imine
CID 124003356
2,2,7-Trimethyl-1,4-diazepine
CID 129075640
2-Ethyl-1,4-diazacyclohepta-2,3,5,7-tetraene
CID 129103571
(Z)-4-(ethylideneamino)-2-methylbut-3-en-2-amine
CID 129289758
(3Z)-2,2-dimethyl-1,5-diazacycloocta-3,5,6,8-tetraene
CID 130440432
N-[(Z)-3-(ethylideneamino)-3-methylbut-1-enyl]butan-1-imine
CID 134172389

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-1,4-diazepine?
The IUPAC name of 5,5-dimethyl-1,4-diazepine (CID 123685984) is 5,5-dimethyl-1,4-diazepine.
What is the SMILES notation for 5,5-dimethyl-1,4-diazepine?
The canonical SMILES for 5,5-dimethyl-1,4-diazepine is CC1(C)C=CN=CC=N1.
What is the InChIKey of 5,5-dimethyl-1,4-diazepine?
The InChIKey is SBIUXQMAXWPTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2/c1-7(2)3-4-8-5-6-9-7/h3-6H,1-2H3.
What are the key properties of 5,5-dimethyl-1,4-diazepine?
5,5-dimethyl-1,4-diazepine has a molecular weight of 122.17 g/mol, XLogP of 1.43, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-1,4-diazepine is sourced from PubChem (CID 123685984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).