N-(3-ethylocta-1,3,5-trien-2-yl)pentan-3-imine

C15H25N — CID 123493065

IUPACN-(3-ethylocta-1,3,5-trien-2-yl)pentan-3-imine
SMILESC=C(N=C(CC)CC)C(=CC=CCC)CC
InChIInChI=1S/C15H25N/c1-6-10-11-12-14(7-2)13(5)16-15(8-3)9-4/h10-12H,5-9H2,1-4H3
InChIKeyGTXIFJCXUFAUAH-UHFFFAOYSA-N
MW219.37 g/mol
LogP5.06
Rot. Bonds7

About N-(3-ethylocta-1,3,5-trien-2-yl)pentan-3-imine

N-(3-ethylocta-1,3,5-trien-2-yl)pentan-3-imine (PubChem CID 123493065) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is N-(3-ethylocta-1,3,5-trien-2-yl)pentan-3-imine.

Molecular Properties

Compound NameN-(3-ethylocta-1,3,5-trien-2-yl)pentan-3-imine
PubChem CID123493065
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC NameN-(3-ethylocta-1,3,5-trien-2-yl)pentan-3-imine
SMILESC=C(N=C(CC)CC)C(=CC=CCC)CC
InChIInChI=1S/C15H25N/c1-6-10-11-12-14(7-2)13(5)16-15(8-3)9-4/h10-12H,5-9H2,1-4H3
InChIKeyGTXIFJCXUFAUAH-UHFFFAOYSA-N
XLogP5.06
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500219.37
LogP ≤ 55.06
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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Frequently Asked Questions

What is the IUPAC name of N-(3-ethylocta-1,3,5-trien-2-yl)pentan-3-imine?
The IUPAC name of N-(3-ethylocta-1,3,5-trien-2-yl)pentan-3-imine (CID 123493065) is N-(3-ethylocta-1,3,5-trien-2-yl)pentan-3-imine.
What is the SMILES notation for N-(3-ethylocta-1,3,5-trien-2-yl)pentan-3-imine?
The canonical SMILES for N-(3-ethylocta-1,3,5-trien-2-yl)pentan-3-imine is C=C(N=C(CC)CC)C(=CC=CCC)CC.
What is the InChIKey of N-(3-ethylocta-1,3,5-trien-2-yl)pentan-3-imine?
The InChIKey is GTXIFJCXUFAUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-6-10-11-12-14(7-2)13(5)16-15(8-3)9-4/h10-12H,5-9H2,1-4H3.
What are the key properties of N-(3-ethylocta-1,3,5-trien-2-yl)pentan-3-imine?
N-(3-ethylocta-1,3,5-trien-2-yl)pentan-3-imine has a molecular weight of 219.37 g/mol, XLogP of 5.06, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylocta-1,3,5-trien-2-yl)pentan-3-imine is sourced from PubChem (CID 123493065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).