6,6-dimethyl-1,4-diazacycloocta-2,4,7,8-tetraene

C8H10N2 — CID 146800823

IUPAC6,6-dimethyl-1,4-diazacycloocta-2,4,7,8-tetraene
SMILESCC1(C)C=C=NC=C/N=C\1
InChIInChI=1S/C8H10N2/c1-8(2)3-4-9-5-6-10-7-8/h3,5-7H,1-2H3/b6-5?,10-7-
InChIKeyRXVYTPMXZSPHLY-NMVVBPQGSA-N
MW134.18 g/mol
LogP1.79
Rot. Bonds

About 6,6-dimethyl-1,4-diazacycloocta-2,4,7,8-tetraene

6,6-dimethyl-1,4-diazacycloocta-2,4,7,8-tetraene (PubChem CID 146800823) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 6,6-dimethyl-1,4-diazacycloocta-2,4,7,8-tetraene.

Molecular Properties

Compound Name6,6-dimethyl-1,4-diazacycloocta-2,4,7,8-tetraene
PubChem CID146800823
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name6,6-dimethyl-1,4-diazacycloocta-2,4,7,8-tetraene
SMILESCC1(C)C=C=NC=C/N=C\1
InChIInChI=1S/C8H10N2/c1-8(2)3-4-9-5-6-10-7-8/h3,5-7H,1-2H3/b6-5?,10-7-
InChIKeyRXVYTPMXZSPHLY-NMVVBPQGSA-N
XLogP1.79
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-Propen-1-amine, N-(2,2-dimethylpropylidene)-, (E,E)-
CID 5463448
(2,2'-Dimethyl-propylidene)-propenylamine
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3,3-Dimethylpyrrole
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N-[(Z)-3,3-dimethylbut-1-enyl]-2,2-dimethylpropan-1-imine
CID 59734363
N-[(Z)-3,3-dimethylbut-1-enyl]-2-methylpropan-1-imine
CID 59848843
2,2-dimethyl-N-[(Z)-3-methylbut-1-enyl]propan-1-imine
CID 59848846
N,2,2-trimethyl-N'-[(Z)-prop-1-enyl]propane-1,3-diimine
CID 88972420
5,5-Dimethyl-1,3-diazepine
CID 89049693
1,5,5-Trimethyl-2-methylidene-1,3-diazepine
CID 91132846
2,2-dimethylpropane;ethane;3H-pyrrole
CID 91543785

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-1,4-diazacycloocta-2,4,7,8-tetraene?
The IUPAC name of 6,6-dimethyl-1,4-diazacycloocta-2,4,7,8-tetraene (CID 146800823) is 6,6-dimethyl-1,4-diazacycloocta-2,4,7,8-tetraene.
What is the SMILES notation for 6,6-dimethyl-1,4-diazacycloocta-2,4,7,8-tetraene?
The canonical SMILES for 6,6-dimethyl-1,4-diazacycloocta-2,4,7,8-tetraene is CC1(C)C=C=NC=C/N=C\1.
What is the InChIKey of 6,6-dimethyl-1,4-diazacycloocta-2,4,7,8-tetraene?
The InChIKey is RXVYTPMXZSPHLY-NMVVBPQGSA-N. The full InChI is InChI=1S/C8H10N2/c1-8(2)3-4-9-5-6-10-7-8/h3,5-7H,1-2H3/b6-5?,10-7-.
What are the key properties of 6,6-dimethyl-1,4-diazacycloocta-2,4,7,8-tetraene?
6,6-dimethyl-1,4-diazacycloocta-2,4,7,8-tetraene has a molecular weight of 134.18 g/mol, XLogP of 1.79, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-1,4-diazacycloocta-2,4,7,8-tetraene is sourced from PubChem (CID 146800823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).