(3E,6Z)-N-propyl-5H-azocin-2-imine

C10H14N2 — CID 123511104

IUPAC(3E,6Z)-N-propyl-5H-azocin-2-imine
SMILESCCC/N=C1/C=C\C/C=C\C=N/1
InChIInChI=1S/C10H14N2/c1-2-8-11-10-7-5-3-4-6-9-12-10/h4-7,9H,2-3,8H2,1H3/b6-4-,7-5-,11-10-,12-9-
InChIKeyRJUREENFZPBHSH-KWDXSUMWSA-N
MW162.24 g/mol
LogP2.38
Rot. Bonds2

About (3E,6Z)-N-propyl-5H-azocin-2-imine

(3E,6Z)-N-propyl-5H-azocin-2-imine (PubChem CID 123511104) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is (3E,6Z)-N-propyl-5H-azocin-2-imine.

Molecular Properties

Compound Name(3E,6Z)-N-propyl-5H-azocin-2-imine
PubChem CID123511104
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name(3E,6Z)-N-propyl-5H-azocin-2-imine
SMILESCCC/N=C1/C=C\C/C=C\C=N/1
InChIInChI=1S/C10H14N2/c1-2-8-11-10-7-5-3-4-6-9-12-10/h4-7,9H,2-3,8H2,1H3/b6-4-,7-5-,11-10-,12-9-
InChIKeyRJUREENFZPBHSH-KWDXSUMWSA-N
XLogP2.38
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 155899101
(3Z)-3-ethylidene-N-methylpyridin-2-imine
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(Z)-N'-ethyl-4-methyl-N-methylidenepent-2-enimidamide
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N'-methyl-N-[(E)-4-methylpent-2-enylidene]methanimidamide
CID 132243203
N-[(1Z,6Z)-2,5-dihydroazocin-2-yl]methanimine;methane;2-methylbut-2-ene
CID 141782865
6-ethyl-2-methyl-4H-1,3-diazepine
CID 141939938
2,4-dimethyl-4H-1,3-diazepine
CID 142144595
(2,4-Dimethyl-1,3-diazepin-4-yl)-methylphosphane
CID 142254158
N-methyl-3-propan-2-ylidenepyridin-2-imine
CID 142275824
(3Z)-N-methyl-3-prop-2-enylidenepyridin-2-imine
CID 142845486
2,4,4-Trimethyl-1,3-diazepine
CID 143263086

Frequently Asked Questions

What is the IUPAC name of (3E,6Z)-N-propyl-5H-azocin-2-imine?
The IUPAC name of (3E,6Z)-N-propyl-5H-azocin-2-imine (CID 123511104) is (3E,6Z)-N-propyl-5H-azocin-2-imine.
What is the SMILES notation for (3E,6Z)-N-propyl-5H-azocin-2-imine?
The canonical SMILES for (3E,6Z)-N-propyl-5H-azocin-2-imine is CCC/N=C1/C=C\C/C=C\C=N/1.
What is the InChIKey of (3E,6Z)-N-propyl-5H-azocin-2-imine?
The InChIKey is RJUREENFZPBHSH-KWDXSUMWSA-N. The full InChI is InChI=1S/C10H14N2/c1-2-8-11-10-7-5-3-4-6-9-12-10/h4-7,9H,2-3,8H2,1H3/b6-4-,7-5-,11-10-,12-9-.
What are the key properties of (3E,6Z)-N-propyl-5H-azocin-2-imine?
(3E,6Z)-N-propyl-5H-azocin-2-imine has a molecular weight of 162.24 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,6Z)-N-propyl-5H-azocin-2-imine is sourced from PubChem (CID 123511104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).