N-[(1Z,3Z)-7-ethyldeca-1,3-dienyl]methanimine

C13H23N — CID 138702153

IUPACN-[(1Z,3Z)-7-ethyldeca-1,3-dienyl]methanimine
SMILESC=N/C=C\C=C/CCC(CC)CCC
InChIInChI=1S/C13H23N/c1-4-10-13(5-2)11-8-6-7-9-12-14-3/h6-7,9,12-13H,3-5,8,10-11H2,1-2H3/b7-6-,12-9-
InChIKeyHZDASSQDMQYSQB-OMBMMOEUSA-N
MW193.33 g/mol
LogP4.36
Rot. Bonds8

About N-[(1Z,3Z)-7-ethyldeca-1,3-dienyl]methanimine

N-[(1Z,3Z)-7-ethyldeca-1,3-dienyl]methanimine (PubChem CID 138702153) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is N-[(1Z,3Z)-7-ethyldeca-1,3-dienyl]methanimine.

Molecular Properties

Compound NameN-[(1Z,3Z)-7-ethyldeca-1,3-dienyl]methanimine
PubChem CID138702153
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC NameN-[(1Z,3Z)-7-ethyldeca-1,3-dienyl]methanimine
SMILESC=N/C=C\C=C/CCC(CC)CCC
InChIInChI=1S/C13H23N/c1-4-10-13(5-2)11-8-6-7-9-12-14-3/h6-7,9,12-13H,3-5,8,10-11H2,1-2H3/b7-6-,12-9-
InChIKeyHZDASSQDMQYSQB-OMBMMOEUSA-N
XLogP4.36
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 54.36
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-[(1Z,3Z)-7-ethyldeca-1,3-dienyl]methanimine?
The IUPAC name of N-[(1Z,3Z)-7-ethyldeca-1,3-dienyl]methanimine (CID 138702153) is N-[(1Z,3Z)-7-ethyldeca-1,3-dienyl]methanimine.
What is the SMILES notation for N-[(1Z,3Z)-7-ethyldeca-1,3-dienyl]methanimine?
The canonical SMILES for N-[(1Z,3Z)-7-ethyldeca-1,3-dienyl]methanimine is C=N/C=C\C=C/CCC(CC)CCC.
What is the InChIKey of N-[(1Z,3Z)-7-ethyldeca-1,3-dienyl]methanimine?
The InChIKey is HZDASSQDMQYSQB-OMBMMOEUSA-N. The full InChI is InChI=1S/C13H23N/c1-4-10-13(5-2)11-8-6-7-9-12-14-3/h6-7,9,12-13H,3-5,8,10-11H2,1-2H3/b7-6-,12-9-.
What are the key properties of N-[(1Z,3Z)-7-ethyldeca-1,3-dienyl]methanimine?
N-[(1Z,3Z)-7-ethyldeca-1,3-dienyl]methanimine has a molecular weight of 193.33 g/mol, XLogP of 4.36, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z,3Z)-7-ethyldeca-1,3-dienyl]methanimine is sourced from PubChem (CID 138702153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).