(5E,7Z)-N-ethyl-5-methyl-3,4-dihydro-1H-azocin-2-imine

C10H16N2 — CID 169248898

IUPAC(5E,7Z)-N-ethyl-5-methyl-3,4-dihydro-1H-azocin-2-imine
SMILESCC/N=C1\CC/C(C)=C\C=C/N1
InChIInChI=1S/C10H16N2/c1-3-11-10-7-6-9(2)5-4-8-12-10/h4-5,8H,3,6-7H2,1-2H3,(H,11,12)/b8-4-,9-5-
InChIKeyQFAPJZGMEWHGQE-XEQVNJCQSA-N
MW164.25 g/mol
LogP2.25
Rot. Bonds1

About (5E,7Z)-N-ethyl-5-methyl-3,4-dihydro-1H-azocin-2-imine

(5E,7Z)-N-ethyl-5-methyl-3,4-dihydro-1H-azocin-2-imine (PubChem CID 169248898) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is (5E,7Z)-N-ethyl-5-methyl-3,4-dihydro-1H-azocin-2-imine.

Molecular Properties

Compound Name(5E,7Z)-N-ethyl-5-methyl-3,4-dihydro-1H-azocin-2-imine
PubChem CID169248898
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name(5E,7Z)-N-ethyl-5-methyl-3,4-dihydro-1H-azocin-2-imine
SMILESCC/N=C1\CC/C(C)=C\C=C/N1
InChIInChI=1S/C10H16N2/c1-3-11-10-7-6-9(2)5-4-8-12-10/h4-5,8H,3,6-7H2,1-2H3,(H,11,12)/b8-4-,9-5-
InChIKeyQFAPJZGMEWHGQE-XEQVNJCQSA-N
XLogP2.25
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5E,7Z)-N-ethyl-5-methyl-3,4-dihydro-1H-azocin-2-imine?
The IUPAC name of (5E,7Z)-N-ethyl-5-methyl-3,4-dihydro-1H-azocin-2-imine (CID 169248898) is (5E,7Z)-N-ethyl-5-methyl-3,4-dihydro-1H-azocin-2-imine.
What is the SMILES notation for (5E,7Z)-N-ethyl-5-methyl-3,4-dihydro-1H-azocin-2-imine?
The canonical SMILES for (5E,7Z)-N-ethyl-5-methyl-3,4-dihydro-1H-azocin-2-imine is CC/N=C1\CC/C(C)=C\C=C/N1.
What is the InChIKey of (5E,7Z)-N-ethyl-5-methyl-3,4-dihydro-1H-azocin-2-imine?
The InChIKey is QFAPJZGMEWHGQE-XEQVNJCQSA-N. The full InChI is InChI=1S/C10H16N2/c1-3-11-10-7-6-9(2)5-4-8-12-10/h4-5,8H,3,6-7H2,1-2H3,(H,11,12)/b8-4-,9-5-.
What are the key properties of (5E,7Z)-N-ethyl-5-methyl-3,4-dihydro-1H-azocin-2-imine?
(5E,7Z)-N-ethyl-5-methyl-3,4-dihydro-1H-azocin-2-imine has a molecular weight of 164.25 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,7Z)-N-ethyl-5-methyl-3,4-dihydro-1H-azocin-2-imine is sourced from PubChem (CID 169248898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).