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

C9H14N2 — CID 91494697

IUPAC2-ethyl-2,6-dimethyl-1,4-diazepine
SMILESCCC1(C)C=NC=C(C)C=N1
InChIInChI=1S/C9H14N2/c1-4-9(3)7-10-5-8(2)6-11-9/h5-7H,4H2,1-3H3
InChIKeyDUHAAZZKJLWSFQ-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.21
Rot. Bonds1

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

2-ethyl-2,6-dimethyl-1,4-diazepine (PubChem CID 91494697) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 2-ethyl-2,6-dimethyl-1,4-diazepine.

Molecular Properties

Compound Name2-ethyl-2,6-dimethyl-1,4-diazepine
PubChem CID91494697
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name2-ethyl-2,6-dimethyl-1,4-diazepine
SMILESCCC1(C)C=NC=C(C)C=N1
InChIInChI=1S/C9H14N2/c1-4-9(3)7-10-5-8(2)6-11-9/h5-7H,4H2,1-3H3
InChIKeyDUHAAZZKJLWSFQ-UHFFFAOYSA-N
XLogP2.21
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-Dimethyl-2-(trifluoromethyl)-1,4-diazepine
CID 142253950
N-tert-butyl-2-methylprop-2-en-1-imine
CID 10511180
6-methyl-2H-1,4-diazepine
CID 68265859
(Z)-N,2-dimethyl-N'-methylideneprop-2-ene-1,3-diimine
CID 88988227
2,6-dimethyl-2H-1,4-diazepine
CID 89084030
N,2-dimethyl-N'-methylideneprop-2-ene-1,3-diimine
CID 123546909
6-Propan-2-yl-1,4-diazacyclohepta-2,3,5,7-tetraene
CID 129103305
6-Tert-butyl-1,4-diazacyclohepta-2,3,5,7-tetraene
CID 129179130
6-Methyl-1,4-diazacyclohepta-2,3,5,7-tetraene
CID 130193946
(E)-N,2-dimethyl-N'-methylideneprop-2-ene-1,3-diimine
CID 134299141
(Z)-N-ethyl-2-methyl-N'-methylideneprop-2-ene-1,3-diimine
CID 139551607
[(E)-3-amino-2-(tert-butyliminomethyl)prop-2-enylidene]azanium
CID 141900455

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2,6-dimethyl-1,4-diazepine?
The IUPAC name of 2-ethyl-2,6-dimethyl-1,4-diazepine (CID 91494697) is 2-ethyl-2,6-dimethyl-1,4-diazepine.
What is the SMILES notation for 2-ethyl-2,6-dimethyl-1,4-diazepine?
The canonical SMILES for 2-ethyl-2,6-dimethyl-1,4-diazepine is CCC1(C)C=NC=C(C)C=N1.
What is the InChIKey of 2-ethyl-2,6-dimethyl-1,4-diazepine?
The InChIKey is DUHAAZZKJLWSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-4-9(3)7-10-5-8(2)6-11-9/h5-7H,4H2,1-3H3.
What are the key properties of 2-ethyl-2,6-dimethyl-1,4-diazepine?
2-ethyl-2,6-dimethyl-1,4-diazepine has a molecular weight of 150.22 g/mol, XLogP of 2.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2,6-dimethyl-1,4-diazepine is sourced from PubChem (CID 91494697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).