2,2,7-trimethyl-1,4-diazepine

C8H12N2 — CID 129075640

IUPAC2,2,7-trimethyl-1,4-diazepine
SMILESCC1=NC(C)(C)C=NC=C1
InChIInChI=1S/C8H12N2/c1-7-4-5-9-6-8(2,3)10-7/h4-6H,1-3H3
InChIKeyIOOTVTZSOPPEPV-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.82
Rot. Bonds

About 2,2,7-trimethyl-1,4-diazepine

2,2,7-trimethyl-1,4-diazepine (PubChem CID 129075640) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 2,2,7-trimethyl-1,4-diazepine.

Molecular Properties

Compound Name2,2,7-trimethyl-1,4-diazepine
PubChem CID129075640
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name2,2,7-trimethyl-1,4-diazepine
SMILESCC1=NC(C)(C)C=NC=C1
InChIInChI=1S/C8H12N2/c1-7-4-5-9-6-8(2,3)10-7/h4-6H,1-3H3
InChIKeyIOOTVTZSOPPEPV-UHFFFAOYSA-N
XLogP1.82
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-3H-pyridin-4-imine
CID 20520378
N-propyl-3H-pyridin-4-imine
CID 20520388
(Z)-3-N-methyl-1-N-methylidenepent-1-ene-1,3-diimine
CID 88570472
(Z)-2-N-methyl-4-N-methylidenebut-3-ene-2,4-diimine
CID 88585998
(1E)-2-methyl-3-N-[(Z)-prop-1-enyl]-1-N-prop-2-enylidenepenta-1,4-diene-1,3-diimine
CID 89088417
1-N-ethenyl-3-methyl-2-N-[(Z)-prop-1-enyl]but-3-ene-1,2-diimine
CID 117758407
2,2-Dimethyl-1,4-diazepine
CID 123193935
5-Ethyl-1,4-diazacyclohepta-2,4,6,7-tetraene
CID 123302668
3-N-methyl-1-N-methylidenepent-1-ene-1,3-diimine
CID 123361832
2-N-methyl-1-N-propylbut-3-ene-1,2-diimine
CID 123553502
2,2-Dimethyl-7,8-dihydro-1,5-diazonine
CID 123571290
(Z)-4-N-propylidenebut-3-ene-2,4-diimine
CID 123598360

Frequently Asked Questions

What is the IUPAC name of 2,2,7-trimethyl-1,4-diazepine?
The IUPAC name of 2,2,7-trimethyl-1,4-diazepine (CID 129075640) is 2,2,7-trimethyl-1,4-diazepine.
What is the SMILES notation for 2,2,7-trimethyl-1,4-diazepine?
The canonical SMILES for 2,2,7-trimethyl-1,4-diazepine is CC1=NC(C)(C)C=NC=C1.
What is the InChIKey of 2,2,7-trimethyl-1,4-diazepine?
The InChIKey is IOOTVTZSOPPEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-7-4-5-9-6-8(2,3)10-7/h4-6H,1-3H3.
What are the key properties of 2,2,7-trimethyl-1,4-diazepine?
2,2,7-trimethyl-1,4-diazepine has a molecular weight of 136.20 g/mol, XLogP of 1.82, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,7-trimethyl-1,4-diazepine is sourced from PubChem (CID 129075640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).