(7E)-3,5-dimethyl-5,6-dihydro-4H-1,3-diazocine

C8H14N2 — CID 130445132

IUPAC(7E)-3,5-dimethyl-5,6-dihydro-4H-1,3-diazocine
SMILESCC1C/C=C\N=C/N(C)C1
InChIInChI=1S/C8H14N2/c1-8-4-3-5-9-7-10(2)6-8/h3,5,7-8H,4,6H2,1-2H3/b5-3-,9-7-
InChIKeyYSRPVLLBQQTZEH-XORISBCWSA-N
MW138.21 g/mol
LogP1.50
Rot. Bonds

About (7E)-3,5-dimethyl-5,6-dihydro-4H-1,3-diazocine

(7E)-3,5-dimethyl-5,6-dihydro-4H-1,3-diazocine (PubChem CID 130445132) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is (7E)-3,5-dimethyl-5,6-dihydro-4H-1,3-diazocine.

Molecular Properties

Compound Name(7E)-3,5-dimethyl-5,6-dihydro-4H-1,3-diazocine
PubChem CID130445132
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name(7E)-3,5-dimethyl-5,6-dihydro-4H-1,3-diazocine
SMILESCC1C/C=C\N=C/N(C)C1
InChIInChI=1S/C8H14N2/c1-8-4-3-5-9-7-10(2)6-8/h3,5,7-8H,4,6H2,1-2H3/b5-3-,9-7-
InChIKeyYSRPVLLBQQTZEH-XORISBCWSA-N
XLogP1.50
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-N-tert-Butyl-1-(3,4-dihydropyridin-1(2H)-yl)methanimine
CID 13283837
(4Z)-1,7,7-trimethyl-8-methylidene-6H-1,3-diazocine
CID 57786281
N-methylidene-N'-[1-[methyl(3-methylpent-4-enyl)amino]ethenyl]methanimidamide
CID 123593836
1,5,6-trimethyl-5,6-dihydro-4H-1,3-diazocine
CID 123863290
3-methyl-4-propan-2-yl-4H-pyrimidine
CID 137444869
N'-ethenyl-N-methyl-N-(3-methylbut-3-enyl)methanimidamide
CID 155442205
1-(4-Methylpent-1-enyl)-4,5-dihydroimidazole
CID 164767495

Frequently Asked Questions

What is the IUPAC name of (7E)-3,5-dimethyl-5,6-dihydro-4H-1,3-diazocine?
The IUPAC name of (7E)-3,5-dimethyl-5,6-dihydro-4H-1,3-diazocine (CID 130445132) is (7E)-3,5-dimethyl-5,6-dihydro-4H-1,3-diazocine.
What is the SMILES notation for (7E)-3,5-dimethyl-5,6-dihydro-4H-1,3-diazocine?
The canonical SMILES for (7E)-3,5-dimethyl-5,6-dihydro-4H-1,3-diazocine is CC1C/C=C\N=C/N(C)C1.
What is the InChIKey of (7E)-3,5-dimethyl-5,6-dihydro-4H-1,3-diazocine?
The InChIKey is YSRPVLLBQQTZEH-XORISBCWSA-N. The full InChI is InChI=1S/C8H14N2/c1-8-4-3-5-9-7-10(2)6-8/h3,5,7-8H,4,6H2,1-2H3/b5-3-,9-7-.
What are the key properties of (7E)-3,5-dimethyl-5,6-dihydro-4H-1,3-diazocine?
(7E)-3,5-dimethyl-5,6-dihydro-4H-1,3-diazocine has a molecular weight of 138.21 g/mol, XLogP of 1.50, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7E)-3,5-dimethyl-5,6-dihydro-4H-1,3-diazocine is sourced from PubChem (CID 130445132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).