2,6-dimethyl-1-azacyclohepta-2,4,5,7-tetraene

C8H9N — CID 123935024

IUPAC2,6-dimethyl-1-azacyclohepta-2,4,5,7-tetraene
SMILESCC1=C=CC=C(C)N=C1
InChIInChI=1S/C8H9N/c1-7-4-3-5-8(2)9-6-7/h3,5-6H,1-2H3
InChIKeyLPCAGZBGMDSNOJ-UHFFFAOYSA-N
MW119.17 g/mol
LogP2.08
Rot. Bonds

About 2,6-dimethyl-1-azacyclohepta-2,4,5,7-tetraene

2,6-dimethyl-1-azacyclohepta-2,4,5,7-tetraene (PubChem CID 123935024) has the molecular formula C8H9N and a molecular weight of 119.17 g/mol. Its IUPAC name is 2,6-dimethyl-1-azacyclohepta-2,4,5,7-tetraene.

Molecular Properties

Compound Name2,6-dimethyl-1-azacyclohepta-2,4,5,7-tetraene
PubChem CID123935024
Molecular FormulaC8H9N
Molecular Weight119.17 g/mol
Exact Mass119.07
IUPAC Name2,6-dimethyl-1-azacyclohepta-2,4,5,7-tetraene
SMILESCC1=C=CC=C(C)N=C1
InChIInChI=1S/C8H9N/c1-7-4-3-5-8(2)9-6-7/h3,5-6H,1-2H3
InChIKeyLPCAGZBGMDSNOJ-UHFFFAOYSA-N
XLogP2.08
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.17
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Methyl-6-(trifluoromethyl)-1-azacyclohepta-2,3,5,7-tetraene
CID 156349364
6-Methyl-2-(trifluoromethyl)-1-azacyclohepta-2,3,5,7-tetraene
CID 143072435
3-Methylazocine
CID 69402086
(Z)-2-methyl-N-prop-1-en-2-ylbut-2-en-1-imine
CID 88870286
(Z)-2-ethenyl-N-prop-1-en-2-ylbut-2-en-1-imine
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N-[(Z)-but-2-en-2-yl]-2-methylprop-2-en-1-imine
CID 88940833
2,3-dimethyl-N-prop-1-en-2-ylbut-2-en-1-imine
CID 89168263
2-methyl-N-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]prop-2-en-1-imine
CID 89426811
(3Z)-2-methylidene-N-prop-1-en-2-ylhexa-3,5-dien-1-imine
CID 89775173
(Z)-N-but-1-en-2-yl-2-methylbut-2-en-1-imine
CID 89953286
N-but-2-en-2-yl-2-methylprop-2-en-1-imine
CID 91172959
2-(2-Methylprop-1-enyl)azete
CID 117956858

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-1-azacyclohepta-2,4,5,7-tetraene?
The IUPAC name of 2,6-dimethyl-1-azacyclohepta-2,4,5,7-tetraene (CID 123935024) is 2,6-dimethyl-1-azacyclohepta-2,4,5,7-tetraene.
What is the SMILES notation for 2,6-dimethyl-1-azacyclohepta-2,4,5,7-tetraene?
The canonical SMILES for 2,6-dimethyl-1-azacyclohepta-2,4,5,7-tetraene is CC1=C=CC=C(C)N=C1.
What is the InChIKey of 2,6-dimethyl-1-azacyclohepta-2,4,5,7-tetraene?
The InChIKey is LPCAGZBGMDSNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N/c1-7-4-3-5-8(2)9-6-7/h3,5-6H,1-2H3.
What are the key properties of 2,6-dimethyl-1-azacyclohepta-2,4,5,7-tetraene?
2,6-dimethyl-1-azacyclohepta-2,4,5,7-tetraene has a molecular weight of 119.17 g/mol, XLogP of 2.08, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-1-azacyclohepta-2,4,5,7-tetraene is sourced from PubChem (CID 123935024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).