(4E,8E)-2,7-dimethyl-6,7-dihydro-1H-1,3-diazonine

C9H14N2 — CID 89337028

IUPAC(4E,8E)-2,7-dimethyl-6,7-dihydro-1H-1,3-diazonine
SMILESC/C1=N/C=C/CC(C)/C=C/N1
InChIInChI=1S/C9H14N2/c1-8-4-3-6-10-9(2)11-7-5-8/h3,5-8H,4H2,1-2H3,(H,10,11)/b6-3+,7-5+
InChIKeySJOKAWKSBZQKKE-SNCPXTGUSA-N
MW150.22 g/mol
LogP2.06
Rot. Bonds

About (4E,8E)-2,7-dimethyl-6,7-dihydro-1H-1,3-diazonine

(4E,8E)-2,7-dimethyl-6,7-dihydro-1H-1,3-diazonine (PubChem CID 89337028) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is (4E,8E)-2,7-dimethyl-6,7-dihydro-1H-1,3-diazonine.

Molecular Properties

Compound Name(4E,8E)-2,7-dimethyl-6,7-dihydro-1H-1,3-diazonine
PubChem CID89337028
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name(4E,8E)-2,7-dimethyl-6,7-dihydro-1H-1,3-diazonine
SMILESC/C1=N/C=C/CC(C)/C=C/N1
InChIInChI=1S/C9H14N2/c1-8-4-3-6-10-9(2)11-7-5-8/h3,5-8H,4H2,1-2H3,(H,10,11)/b6-3+,7-5+
InChIKeySJOKAWKSBZQKKE-SNCPXTGUSA-N
XLogP2.06
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4E,8E)-2,7-dimethyl-6,7-dihydro-1H-1,3-diazonine?
The IUPAC name of (4E,8E)-2,7-dimethyl-6,7-dihydro-1H-1,3-diazonine (CID 89337028) is (4E,8E)-2,7-dimethyl-6,7-dihydro-1H-1,3-diazonine.
What is the SMILES notation for (4E,8E)-2,7-dimethyl-6,7-dihydro-1H-1,3-diazonine?
The canonical SMILES for (4E,8E)-2,7-dimethyl-6,7-dihydro-1H-1,3-diazonine is C/C1=N/C=C/CC(C)/C=C/N1.
What is the InChIKey of (4E,8E)-2,7-dimethyl-6,7-dihydro-1H-1,3-diazonine?
The InChIKey is SJOKAWKSBZQKKE-SNCPXTGUSA-N. The full InChI is InChI=1S/C9H14N2/c1-8-4-3-6-10-9(2)11-7-5-8/h3,5-8H,4H2,1-2H3,(H,10,11)/b6-3+,7-5+.
What are the key properties of (4E,8E)-2,7-dimethyl-6,7-dihydro-1H-1,3-diazonine?
(4E,8E)-2,7-dimethyl-6,7-dihydro-1H-1,3-diazonine has a molecular weight of 150.22 g/mol, XLogP of 2.06, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,8E)-2,7-dimethyl-6,7-dihydro-1H-1,3-diazonine is sourced from PubChem (CID 89337028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).