2,6-dimethyl-2H-1,4-diazepine

C7H10N2 — CID 89084030

IUPAC2,6-dimethyl-2H-1,4-diazepine
SMILESCC1=CN=CC(C)N=C1
InChIInChI=1S/C7H10N2/c1-6-3-8-5-7(2)9-4-6/h3-5,7H,1-2H3
InChIKeyXOHBQUWPKVIDGT-UHFFFAOYSA-N
MW122.17 g/mol
LogP1.43
Rot. Bonds

About 2,6-dimethyl-2H-1,4-diazepine

2,6-dimethyl-2H-1,4-diazepine (PubChem CID 89084030) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 2,6-dimethyl-2H-1,4-diazepine.

Molecular Properties

Compound Name2,6-dimethyl-2H-1,4-diazepine
PubChem CID89084030
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name2,6-dimethyl-2H-1,4-diazepine
SMILESCC1=CN=CC(C)N=C1
InChIInChI=1S/C7H10N2/c1-6-3-8-5-7(2)9-4-6/h3-5,7H,1-2H3
InChIKeyXOHBQUWPKVIDGT-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 2,6-dimethyl-2H-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

N-propylidene-(2-methylpropenylamine)
CID 12941767
Methyl-(2-methyl-3-methyliminoprop-1-enyl)azanide
CID 58028323
6-methyl-2H-1,4-diazepine
CID 68265859
(Z)-N'-ethylidene-2-methylprop-2-ene-1,3-diimine
CID 88539326
(Z)-N'-ethylidene-N,2-dimethylprop-2-ene-1,3-diimine
CID 88575448
(Z)-N,2-dimethyl-N'-methylideneprop-2-ene-1,3-diimine
CID 88988227
2-methyl-N'-propan-2-ylideneprop-2-ene-1,3-diimine
CID 90956703
6-methyl-5H-1,4-diazepine
CID 91406936
2-Ethyl-2,6-dimethyl-1,4-diazepine
CID 91494697
(Z)-2-methyl-N'-propan-2-ylideneprop-2-ene-1,3-diimine
CID 117860649
(Z)-2-methyl-3-propan-2-yliminoprop-1-en-1-amine
CID 122599138
2,6-Dimethyl-1-aza-4-azoniacyclohepta-5,7-dien-3-yne
CID 123374014

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-2H-1,4-diazepine?
The IUPAC name of 2,6-dimethyl-2H-1,4-diazepine (CID 89084030) is 2,6-dimethyl-2H-1,4-diazepine.
What is the SMILES notation for 2,6-dimethyl-2H-1,4-diazepine?
The canonical SMILES for 2,6-dimethyl-2H-1,4-diazepine is CC1=CN=CC(C)N=C1.
What is the InChIKey of 2,6-dimethyl-2H-1,4-diazepine?
The InChIKey is XOHBQUWPKVIDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2/c1-6-3-8-5-7(2)9-4-6/h3-5,7H,1-2H3.
What are the key properties of 2,6-dimethyl-2H-1,4-diazepine?
2,6-dimethyl-2H-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 2,6-dimethyl-2H-1,4-diazepine is sourced from PubChem (CID 89084030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).