(2Z,5E,6Z)-3-ethyl-5-ethylidene-N,4-dimethylocta-2,6-dien-1-imine

C14H23N — CID 129171378

IUPAC(2Z,5E,6Z)-3-ethyl-5-ethylidene-N,4-dimethylocta-2,6-dien-1-imine
SMILESC/C=C\C(=C/C)C(C)/C(=C\C=N\C)CC
InChIInChI=1S/C14H23N/c1-6-9-13(7-2)12(4)14(8-3)10-11-15-5/h6-7,9-12H,8H2,1-5H3/b9-6-,13-7+,14-10-,15-11+
InChIKeyOXURTIBDDSWUOU-ULKHSLSOSA-N
MW205.34 g/mol
LogP4.18
Rot. Bonds5

About (2Z,5E,6Z)-3-ethyl-5-ethylidene-N,4-dimethylocta-2,6-dien-1-imine

(2Z,5E,6Z)-3-ethyl-5-ethylidene-N,4-dimethylocta-2,6-dien-1-imine (PubChem CID 129171378) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is (2Z,5E,6Z)-3-ethyl-5-ethylidene-N,4-dimethylocta-2,6-dien-1-imine.

Molecular Properties

Compound Name(2Z,5E,6Z)-3-ethyl-5-ethylidene-N,4-dimethylocta-2,6-dien-1-imine
PubChem CID129171378
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name(2Z,5E,6Z)-3-ethyl-5-ethylidene-N,4-dimethylocta-2,6-dien-1-imine
SMILESC/C=C\C(=C/C)C(C)/C(=C\C=N\C)CC
InChIInChI=1S/C14H23N/c1-6-9-13(7-2)12(4)14(8-3)10-11-15-5/h6-7,9-12H,8H2,1-5H3/b9-6-,13-7+,14-10-,15-11+
InChIKeyOXURTIBDDSWUOU-ULKHSLSOSA-N
XLogP4.18
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 54.18
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 (2Z,5E,6Z)-3-ethyl-5-ethylidene-N,4-dimethylocta-2,6-dien-1-imine?
The IUPAC name of (2Z,5E,6Z)-3-ethyl-5-ethylidene-N,4-dimethylocta-2,6-dien-1-imine (CID 129171378) is (2Z,5E,6Z)-3-ethyl-5-ethylidene-N,4-dimethylocta-2,6-dien-1-imine.
What is the SMILES notation for (2Z,5E,6Z)-3-ethyl-5-ethylidene-N,4-dimethylocta-2,6-dien-1-imine?
The canonical SMILES for (2Z,5E,6Z)-3-ethyl-5-ethylidene-N,4-dimethylocta-2,6-dien-1-imine is C/C=C\C(=C/C)C(C)/C(=C\C=N\C)CC.
What is the InChIKey of (2Z,5E,6Z)-3-ethyl-5-ethylidene-N,4-dimethylocta-2,6-dien-1-imine?
The InChIKey is OXURTIBDDSWUOU-ULKHSLSOSA-N. The full InChI is InChI=1S/C14H23N/c1-6-9-13(7-2)12(4)14(8-3)10-11-15-5/h6-7,9-12H,8H2,1-5H3/b9-6-,13-7+,14-10-,15-11+.
What are the key properties of (2Z,5E,6Z)-3-ethyl-5-ethylidene-N,4-dimethylocta-2,6-dien-1-imine?
(2Z,5E,6Z)-3-ethyl-5-ethylidene-N,4-dimethylocta-2,6-dien-1-imine has a molecular weight of 205.34 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5E,6Z)-3-ethyl-5-ethylidene-N,4-dimethylocta-2,6-dien-1-imine is sourced from PubChem (CID 129171378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).