N-[(3E,5Z)-4-methylocta-1,3,5,7-tetraen-3-yl]ethanimine

C11H15N — CID 126734370

IUPACN-[(3E,5Z)-4-methylocta-1,3,5,7-tetraen-3-yl]ethanimine
SMILESC=C/C=C\C(C)=C(C=C)\N=C\C
InChIInChI=1S/C11H15N/c1-5-8-9-10(4)11(6-2)12-7-3/h5-9H,1-2H2,3-4H3/b9-8-,11-10+,12-7+
InChIKeyDWLWEQSOKDKUQP-WEPCECPMSA-N
MW161.25 g/mol
LogP3.28
Rot. Bonds4

About N-[(3E,5Z)-4-methylocta-1,3,5,7-tetraen-3-yl]ethanimine

N-[(3E,5Z)-4-methylocta-1,3,5,7-tetraen-3-yl]ethanimine (PubChem CID 126734370) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is N-[(3E,5Z)-4-methylocta-1,3,5,7-tetraen-3-yl]ethanimine.

Molecular Properties

Compound NameN-[(3E,5Z)-4-methylocta-1,3,5,7-tetraen-3-yl]ethanimine
PubChem CID126734370
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC NameN-[(3E,5Z)-4-methylocta-1,3,5,7-tetraen-3-yl]ethanimine
SMILESC=C/C=C\C(C)=C(C=C)\N=C\C
InChIInChI=1S/C11H15N/c1-5-8-9-10(4)11(6-2)12-7-3/h5-9H,1-2H2,3-4H3/b9-8-,11-10+,12-7+
InChIKeyDWLWEQSOKDKUQP-WEPCECPMSA-N
XLogP3.28
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 53.28
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'}

Analyze N-[(3E,5Z)-4-methylocta-1,3,5,7-tetraen-3-yl]ethanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3E,5Z)-4-methylocta-1,3,5,7-tetraen-3-yl]ethanimine?
The IUPAC name of N-[(3E,5Z)-4-methylocta-1,3,5,7-tetraen-3-yl]ethanimine (CID 126734370) is N-[(3E,5Z)-4-methylocta-1,3,5,7-tetraen-3-yl]ethanimine.
What is the SMILES notation for N-[(3E,5Z)-4-methylocta-1,3,5,7-tetraen-3-yl]ethanimine?
The canonical SMILES for N-[(3E,5Z)-4-methylocta-1,3,5,7-tetraen-3-yl]ethanimine is C=C/C=C\C(C)=C(C=C)\N=C\C.
What is the InChIKey of N-[(3E,5Z)-4-methylocta-1,3,5,7-tetraen-3-yl]ethanimine?
The InChIKey is DWLWEQSOKDKUQP-WEPCECPMSA-N. The full InChI is InChI=1S/C11H15N/c1-5-8-9-10(4)11(6-2)12-7-3/h5-9H,1-2H2,3-4H3/b9-8-,11-10+,12-7+.
What are the key properties of N-[(3E,5Z)-4-methylocta-1,3,5,7-tetraen-3-yl]ethanimine?
N-[(3E,5Z)-4-methylocta-1,3,5,7-tetraen-3-yl]ethanimine has a molecular weight of 161.25 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E,5Z)-4-methylocta-1,3,5,7-tetraen-3-yl]ethanimine is sourced from PubChem (CID 126734370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).