2,2-dimethyl-1,4-diazepine

C7H10N2 — CID 123193935

IUPAC2,2-dimethyl-1,4-diazepine
SMILESCC1(C)C=NC=CC=N1
InChIInChI=1S/C7H10N2/c1-7(2)6-8-4-3-5-9-7/h3-6H,1-2H3
InChIKeyREIRWOTZMWSALK-UHFFFAOYSA-N
MW122.17 g/mol
LogP1.43
Rot. Bonds

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

2,2-dimethyl-1,4-diazepine (PubChem CID 123193935) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 2,2-dimethyl-1,4-diazepine.

Molecular Properties

Compound Name2,2-dimethyl-1,4-diazepine
PubChem CID123193935
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name2,2-dimethyl-1,4-diazepine
SMILESCC1(C)C=NC=CC=N1
InChIInChI=1S/C7H10N2/c1-7(2)6-8-4-3-5-9-7/h3-6H,1-2H3
InChIKeyREIRWOTZMWSALK-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

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Related Compounds

N-methyl-N'-methylideneprop-2-ene-1,3-diimine
CID 91606293
2-Methyl-1,4-diazepin-2-amine
CID 89029121
3-methyl-2H-1,4-diazepine
CID 89043963
2-N-methyl-1-N-[(Z)-prop-1-enyl]propane-1,2-diimine
CID 89068382
N-[(Z)-3-iminoprop-1-enyl]-2-methylpropan-1-imine
CID 89423962
3-methyl-5H-1,4-diazepine
CID 90266782
N'-ethylidene-N-methylprop-2-ene-1,3-diimine
CID 91250307
1-N-methyl-2-N-[(Z)-prop-1-enyl]propane-1,2-diimine
CID 118671214
N-ethyl-N'-methylideneprop-2-ene-1,3-diimine
CID 123266656
2-methyl-5H-1,4-diazepine
CID 123498938
2-N-methyl-1-N-prop-1-enylpropane-1,2-diimine
CID 123652433
5,5-Dimethyl-1,4-diazepine
CID 123685984

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1,4-diazepine?
The IUPAC name of 2,2-dimethyl-1,4-diazepine (CID 123193935) is 2,2-dimethyl-1,4-diazepine.
What is the SMILES notation for 2,2-dimethyl-1,4-diazepine?
The canonical SMILES for 2,2-dimethyl-1,4-diazepine is CC1(C)C=NC=CC=N1.
What is the InChIKey of 2,2-dimethyl-1,4-diazepine?
The InChIKey is REIRWOTZMWSALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2/c1-7(2)6-8-4-3-5-9-7/h3-6H,1-2H3.
What are the key properties of 2,2-dimethyl-1,4-diazepine?
2,2-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 2,2-dimethyl-1,4-diazepine is sourced from PubChem (CID 123193935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).