N-(5-ethenylocta-2,4,6-trien-4-yl)methanimine

C11H15N — CID 123154101

IUPACN-(5-ethenylocta-2,4,6-trien-4-yl)methanimine
SMILESC=CC(C=CC)=C(C=CC)N=C
InChIInChI=1S/C11H15N/c1-5-8-10(7-3)11(12-4)9-6-2/h5-9H,3-4H2,1-2H3
InChIKeyKOGBYNDEMRBVRX-UHFFFAOYSA-N
MW161.25 g/mol
LogP3.28
Rot. Bonds4

About N-(5-ethenylocta-2,4,6-trien-4-yl)methanimine

N-(5-ethenylocta-2,4,6-trien-4-yl)methanimine (PubChem CID 123154101) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is N-(5-ethenylocta-2,4,6-trien-4-yl)methanimine.

Molecular Properties

Compound NameN-(5-ethenylocta-2,4,6-trien-4-yl)methanimine
PubChem CID123154101
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC NameN-(5-ethenylocta-2,4,6-trien-4-yl)methanimine
SMILESC=CC(C=CC)=C(C=CC)N=C
InChIInChI=1S/C11H15N/c1-5-8-10(7-3)11(12-4)9-6-2/h5-9H,3-4H2,1-2H3
InChIKeyKOGBYNDEMRBVRX-UHFFFAOYSA-N
XLogP3.28
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(4-fluorocyclohexa-1,5-dien-1-yl)ethenyl]methanimine
CID 70323185
N-(3-fluoro-5-methylhexa-1,3,5-trien-2-yl)methanimine
CID 91170852
N-(4-fluoro-2,6,7-trimethylocta-1,3,5,7-tetraen-3-yl)methanimine
CID 123451765
N-(6-fluoro-4-prop-1-enylhepta-3,5-dien-3-yl)methanimine
CID 124034785
N-[(3Z,5E)-6-fluoro-2,4-dimethylhepta-3,5-dien-3-yl]methanimine
CID 129051517
N-[(2Z)-4-fluoro-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]methanimine
CID 130413066
N-[(2E,4Z)-3-fluoro-4-methylhexa-2,4-dien-2-yl]methanimine
CID 134441063
N-[4-fluoro-7-[(Z)-prop-1-enyl]cyclohepta-1,3,6-trien-1-yl]methanimine
CID 135128525
N-[(2Z,4E)-3-(2-fluoroethyl)hexa-2,4-dien-2-yl]methanimine
CID 137467845
N-[(2E,4Z)-3-(trifluoromethyl)hexa-2,4-dien-2-yl]methanimine
CID 143420707
N-[(3E)-5-(trifluoromethyl)hexa-1,3,5-trien-3-yl]methanimine
CID 144145337
N-[(3E,5E)-4-[(E)-2-fluoroethenyl]hepta-1,3,5-trien-3-yl]methanimine
CID 144360493

Frequently Asked Questions

What is the IUPAC name of N-(5-ethenylocta-2,4,6-trien-4-yl)methanimine?
The IUPAC name of N-(5-ethenylocta-2,4,6-trien-4-yl)methanimine (CID 123154101) is N-(5-ethenylocta-2,4,6-trien-4-yl)methanimine.
What is the SMILES notation for N-(5-ethenylocta-2,4,6-trien-4-yl)methanimine?
The canonical SMILES for N-(5-ethenylocta-2,4,6-trien-4-yl)methanimine is C=CC(C=CC)=C(C=CC)N=C.
What is the InChIKey of N-(5-ethenylocta-2,4,6-trien-4-yl)methanimine?
The InChIKey is KOGBYNDEMRBVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N/c1-5-8-10(7-3)11(12-4)9-6-2/h5-9H,3-4H2,1-2H3.
What are the key properties of N-(5-ethenylocta-2,4,6-trien-4-yl)methanimine?
N-(5-ethenylocta-2,4,6-trien-4-yl)methanimine has a molecular weight of 161.25 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethenylocta-2,4,6-trien-4-yl)methanimine is sourced from PubChem (CID 123154101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).