(8E)-2-methyl-6,7-dihydro-1H-1,3-diazonine

C8H12N2 — CID 123300903

IUPAC(8E)-2-methyl-6,7-dihydro-1H-1,3-diazonine
SMILESC/C1=N/C=CCC/C=C/N1
InChIInChI=1S/C8H12N2/c1-8-9-6-4-2-3-5-7-10-8/h4-7H,2-3H2,1H3,(H,9,10)/b6-4+,7-5?
InChIKeyQSXWSKAEBNVVIX-NNUXYFOWSA-N
MW136.20 g/mol
LogP1.82
Rot. Bonds

About (8E)-2-methyl-6,7-dihydro-1H-1,3-diazonine

(8E)-2-methyl-6,7-dihydro-1H-1,3-diazonine (PubChem CID 123300903) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is (8E)-2-methyl-6,7-dihydro-1H-1,3-diazonine.

Molecular Properties

Compound Name(8E)-2-methyl-6,7-dihydro-1H-1,3-diazonine
PubChem CID123300903
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name(8E)-2-methyl-6,7-dihydro-1H-1,3-diazonine
SMILESC/C1=N/C=CCC/C=C/N1
InChIInChI=1S/C8H12N2/c1-8-9-6-4-2-3-5-7-10-8/h4-7H,2-3H2,1H3,(H,9,10)/b6-4+,7-5?
InChIKeyQSXWSKAEBNVVIX-NNUXYFOWSA-N
XLogP1.82
TPSA24.39 Ų
H-Bond Donors1
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 ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4E,8E)-7-fluoro-2-methyl-6,7-dihydro-1H-1,3-diazonine
CID 144356783
2-Methyl-1,4-dihydropyrimidine
CID 13432429
2-Methyl-1H-1,3-diazepine
CID 56992381
N'-[(E)-pent-1-enyl]ethanimidamide
CID 57091878
2-prop-2-enyl-1H-1,3-diazepine
CID 69249614
N'-methyl-N-[(Z)-prop-1-enyl]ethanimidamide
CID 87171545
(4E,8E)-2,7-dimethyl-6,7-dihydro-1H-1,3-diazonine
CID 89337028
N-[(Z)-but-1-enyl]-N'-methylethanimidamide
CID 89347354
2,4-Dimethyl-1,4-dihydropyrimidine
CID 89750388
N,N'-bis(prop-1-enyl)ethanimidamide
CID 91212517
N-[(1E)-buta-1,3-dienyl]-N'-methylpropanimidamide
CID 118486678
(4E)-2-methyl-1,6-dihydro-1,3-diazocine
CID 123209048

Frequently Asked Questions

What is the IUPAC name of (8E)-2-methyl-6,7-dihydro-1H-1,3-diazonine?
The IUPAC name of (8E)-2-methyl-6,7-dihydro-1H-1,3-diazonine (CID 123300903) is (8E)-2-methyl-6,7-dihydro-1H-1,3-diazonine.
What is the SMILES notation for (8E)-2-methyl-6,7-dihydro-1H-1,3-diazonine?
The canonical SMILES for (8E)-2-methyl-6,7-dihydro-1H-1,3-diazonine is C/C1=N/C=CCC/C=C/N1.
What is the InChIKey of (8E)-2-methyl-6,7-dihydro-1H-1,3-diazonine?
The InChIKey is QSXWSKAEBNVVIX-NNUXYFOWSA-N. The full InChI is InChI=1S/C8H12N2/c1-8-9-6-4-2-3-5-7-10-8/h4-7H,2-3H2,1H3,(H,9,10)/b6-4+,7-5?.
What are the key properties of (8E)-2-methyl-6,7-dihydro-1H-1,3-diazonine?
(8E)-2-methyl-6,7-dihydro-1H-1,3-diazonine has a molecular weight of 136.20 g/mol, XLogP of 1.82, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8E)-2-methyl-6,7-dihydro-1H-1,3-diazonine is sourced from PubChem (CID 123300903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).