N-[(1E,3E,4Z,6Z)-3-ethylidene-2-methylocta-1,4,6-trienyl]ethanimine

C13H19N — CID 156544011

IUPACN-[(1E,3E,4Z,6Z)-3-ethylidene-2-methylocta-1,4,6-trienyl]ethanimine
SMILESC/C=C\C=C/C(=C\C)/C(C)=C/N=C/C
InChIInChI=1S/C13H19N/c1-5-8-9-10-13(6-2)12(4)11-14-7-3/h5-11H,1-4H3/b8-5-,10-9-,12-11+,13-6+,14-7+
InChIKeySVALZSZKOUIFPR-SDUSMBIFSA-N
MW189.30 g/mol
LogP4.06
Rot. Bonds4

About N-[(1E,3E,4Z,6Z)-3-ethylidene-2-methylocta-1,4,6-trienyl]ethanimine

N-[(1E,3E,4Z,6Z)-3-ethylidene-2-methylocta-1,4,6-trienyl]ethanimine (PubChem CID 156544011) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is N-[(1E,3E,4Z,6Z)-3-ethylidene-2-methylocta-1,4,6-trienyl]ethanimine.

Molecular Properties

Compound NameN-[(1E,3E,4Z,6Z)-3-ethylidene-2-methylocta-1,4,6-trienyl]ethanimine
PubChem CID156544011
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC NameN-[(1E,3E,4Z,6Z)-3-ethylidene-2-methylocta-1,4,6-trienyl]ethanimine
SMILESC/C=C\C=C/C(=C\C)/C(C)=C/N=C/C
InChIInChI=1S/C13H19N/c1-5-8-9-10-13(6-2)12(4)11-14-7-3/h5-11H,1-4H3/b8-5-,10-9-,12-11+,13-6+,14-7+
InChIKeySVALZSZKOUIFPR-SDUSMBIFSA-N
XLogP4.06
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 54.06
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-[(1E,3E,4Z,6Z)-3-ethylidene-2-methylocta-1,4,6-trienyl]ethanimine?
The IUPAC name of N-[(1E,3E,4Z,6Z)-3-ethylidene-2-methylocta-1,4,6-trienyl]ethanimine (CID 156544011) is N-[(1E,3E,4Z,6Z)-3-ethylidene-2-methylocta-1,4,6-trienyl]ethanimine.
What is the SMILES notation for N-[(1E,3E,4Z,6Z)-3-ethylidene-2-methylocta-1,4,6-trienyl]ethanimine?
The canonical SMILES for N-[(1E,3E,4Z,6Z)-3-ethylidene-2-methylocta-1,4,6-trienyl]ethanimine is C/C=C\C=C/C(=C\C)/C(C)=C/N=C/C.
What is the InChIKey of N-[(1E,3E,4Z,6Z)-3-ethylidene-2-methylocta-1,4,6-trienyl]ethanimine?
The InChIKey is SVALZSZKOUIFPR-SDUSMBIFSA-N. The full InChI is InChI=1S/C13H19N/c1-5-8-9-10-13(6-2)12(4)11-14-7-3/h5-11H,1-4H3/b8-5-,10-9-,12-11+,13-6+,14-7+.
What are the key properties of N-[(1E,3E,4Z,6Z)-3-ethylidene-2-methylocta-1,4,6-trienyl]ethanimine?
N-[(1E,3E,4Z,6Z)-3-ethylidene-2-methylocta-1,4,6-trienyl]ethanimine has a molecular weight of 189.30 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E,3E,4Z,6Z)-3-ethylidene-2-methylocta-1,4,6-trienyl]ethanimine is sourced from PubChem (CID 156544011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).