5,7-dimethyl-4H-diazepine

C7H10N2 — CID 14971606

IUPAC5,7-dimethyl-4H-diazepine
SMILESCC1=CC(C)=NN=CC1
InChIInChI=1S/C7H10N2/c1-6-3-4-8-9-7(2)5-6/h4-5H,3H2,1-2H3
InChIKeySXCBPNIJZNIFFT-UHFFFAOYSA-N
MW122.17 g/mol
LogP1.78
Rot. Bonds

About 5,7-dimethyl-4H-diazepine

5,7-dimethyl-4H-diazepine (PubChem CID 14971606) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 5,7-dimethyl-4H-diazepine.

Molecular Properties

Compound Name5,7-dimethyl-4H-diazepine
PubChem CID14971606
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name5,7-dimethyl-4H-diazepine
SMILESCC1=CC(C)=NN=CC1
InChIInChI=1S/C7H10N2/c1-6-3-4-8-9-7(2)5-6/h4-5H,3H2,1-2H3
InChIKeySXCBPNIJZNIFFT-UHFFFAOYSA-N
XLogP1.78
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 ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-methyl-7-(trifluoromethyl)-4H-diazepine
CID 141985994
(Z)-[(E)-2-ethylbut-2-enylidene]hydrazine
CID 59339324
(Z)-[(E)-2-methylpent-2-enylidene]hydrazine
CID 59339376
(Z)-3-methylpent-2-ene-1,4-diimine
CID 87688718
(Z)-2-methylpent-2-ene-1,4-diimine
CID 88986015
6,7-diethyl-4-methyl-4H-diazepine
CID 89204115
(Z)-4-methyl-N-(methylideneamino)pent-3-en-2-imine
CID 89410427
(Z)-[(Z)-2-methylpent-2-enylidene]hydrazine
CID 89830017
(Z,E)-4-methyl-N-(methylideneamino)hex-3-en-2-imine
CID 90208066
4-methyl-6-propan-2-yl-4H-diazepine
CID 90930620
(E)-[(E)-2-ethylbut-2-enylidene]hydrazine
CID 91092703
(E)-[(E)-2-methylpent-2-enylidene]hydrazine
CID 91148985

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-4H-diazepine?
The IUPAC name of 5,7-dimethyl-4H-diazepine (CID 14971606) is 5,7-dimethyl-4H-diazepine.
What is the SMILES notation for 5,7-dimethyl-4H-diazepine?
The canonical SMILES for 5,7-dimethyl-4H-diazepine is CC1=CC(C)=NN=CC1.
What is the InChIKey of 5,7-dimethyl-4H-diazepine?
The InChIKey is SXCBPNIJZNIFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2/c1-6-3-4-8-9-7(2)5-6/h4-5H,3H2,1-2H3.
What are the key properties of 5,7-dimethyl-4H-diazepine?
5,7-dimethyl-4H-diazepine has a molecular weight of 122.17 g/mol, XLogP of 1.78, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-4H-diazepine is sourced from PubChem (CID 14971606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).