N-(5-ethylocta-2,3,6-trien-2-yl)methanimine

C11H17N — CID 138509603

IUPACN-(5-ethylocta-2,3,6-trien-2-yl)methanimine
SMILESC=NC(C)=C=CC(C=CC)CC
InChIInChI=1S/C11H17N/c1-5-7-11(6-2)9-8-10(3)12-4/h5,7,9,11H,4,6H2,1-3H3
InChIKeyUVEZONWKECIPNR-UHFFFAOYSA-N
MW163.26 g/mol
LogP3.35
Rot. Bonds4

About N-(5-ethylocta-2,3,6-trien-2-yl)methanimine

N-(5-ethylocta-2,3,6-trien-2-yl)methanimine (PubChem CID 138509603) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is N-(5-ethylocta-2,3,6-trien-2-yl)methanimine.

Molecular Properties

Compound NameN-(5-ethylocta-2,3,6-trien-2-yl)methanimine
PubChem CID138509603
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC NameN-(5-ethylocta-2,3,6-trien-2-yl)methanimine
SMILESC=NC(C)=C=CC(C=CC)CC
InChIInChI=1S/C11H17N/c1-5-7-11(6-2)9-8-10(3)12-4/h5,7,9,11H,4,6H2,1-3H3
InChIKeyUVEZONWKECIPNR-UHFFFAOYSA-N
XLogP3.35
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethylocta-2,3,6-trien-2-yl)methanimine?
The IUPAC name of N-(5-ethylocta-2,3,6-trien-2-yl)methanimine (CID 138509603) is N-(5-ethylocta-2,3,6-trien-2-yl)methanimine.
What is the SMILES notation for N-(5-ethylocta-2,3,6-trien-2-yl)methanimine?
The canonical SMILES for N-(5-ethylocta-2,3,6-trien-2-yl)methanimine is C=NC(C)=C=CC(C=CC)CC.
What is the InChIKey of N-(5-ethylocta-2,3,6-trien-2-yl)methanimine?
The InChIKey is UVEZONWKECIPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-5-7-11(6-2)9-8-10(3)12-4/h5,7,9,11H,4,6H2,1-3H3.
What are the key properties of N-(5-ethylocta-2,3,6-trien-2-yl)methanimine?
N-(5-ethylocta-2,3,6-trien-2-yl)methanimine has a molecular weight of 163.26 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethylocta-2,3,6-trien-2-yl)methanimine is sourced from PubChem (CID 138509603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).