N'-[3-[(1E,3E)-2,3-dichlorohexa-1,3,5-trienoxy]propyl]ethane-1,2-diamine

C11H18Cl2N2O — CID 142055513

IUPACN'-[3-[(1E,3E)-2,3-dichlorohexa-1,3,5-trienoxy]propyl]ethane-1,2-diamine
SMILESC=C/C=C(Cl)\C(Cl)=C/OCCCNCCN
InChIInChI=1S/C11H18Cl2N2O/c1-2-4-10(12)11(13)9-16-8-3-6-15-7-5-14/h2,4,9,15H,1,3,5-8,14H2/b10-4+,11-9+
InChIKeyWGLRCNAZTMBHBJ-YZUAGEKXSA-N
MW265.18 g/mol
LogP2.33
Rot. Bonds9

About N'-[3-[(1E,3E)-2,3-dichlorohexa-1,3,5-trienoxy]propyl]ethane-1,2-diamine

N'-[3-[(1E,3E)-2,3-dichlorohexa-1,3,5-trienoxy]propyl]ethane-1,2-diamine (PubChem CID 142055513) has the molecular formula C11H18Cl2N2O and a molecular weight of 265.18 g/mol. Its IUPAC name is N'-[3-[(1E,3E)-2,3-dichlorohexa-1,3,5-trienoxy]propyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[3-[(1E,3E)-2,3-dichlorohexa-1,3,5-trienoxy]propyl]ethane-1,2-diamine
PubChem CID142055513
Molecular FormulaC11H18Cl2N2O
Molecular Weight265.18 g/mol
Exact Mass264.08
IUPAC NameN'-[3-[(1E,3E)-2,3-dichlorohexa-1,3,5-trienoxy]propyl]ethane-1,2-diamine
SMILESC=C/C=C(Cl)\C(Cl)=C/OCCCNCCN
InChIInChI=1S/C11H18Cl2N2O/c1-2-4-10(12)11(13)9-16-8-3-6-15-7-5-14/h2,4,9,15H,1,3,5-8,14H2/b10-4+,11-9+
InChIKeyWGLRCNAZTMBHBJ-YZUAGEKXSA-N
XLogP2.33
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.18
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N'-[3-[(1E,3E)-2,3-dichlorohexa-1,3,5-trienoxy]propyl]ethane-1,2-diamine 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'-[3-[(1E,3E)-2,3-dichlorohexa-1,3,5-trienoxy]propyl]ethane-1,2-diamine?
The IUPAC name of N'-[3-[(1E,3E)-2,3-dichlorohexa-1,3,5-trienoxy]propyl]ethane-1,2-diamine (CID 142055513) is N'-[3-[(1E,3E)-2,3-dichlorohexa-1,3,5-trienoxy]propyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[3-[(1E,3E)-2,3-dichlorohexa-1,3,5-trienoxy]propyl]ethane-1,2-diamine?
The canonical SMILES for N'-[3-[(1E,3E)-2,3-dichlorohexa-1,3,5-trienoxy]propyl]ethane-1,2-diamine is C=C/C=C(Cl)\C(Cl)=C/OCCCNCCN.
What is the InChIKey of N'-[3-[(1E,3E)-2,3-dichlorohexa-1,3,5-trienoxy]propyl]ethane-1,2-diamine?
The InChIKey is WGLRCNAZTMBHBJ-YZUAGEKXSA-N. The full InChI is InChI=1S/C11H18Cl2N2O/c1-2-4-10(12)11(13)9-16-8-3-6-15-7-5-14/h2,4,9,15H,1,3,5-8,14H2/b10-4+,11-9+.
What are the key properties of N'-[3-[(1E,3E)-2,3-dichlorohexa-1,3,5-trienoxy]propyl]ethane-1,2-diamine?
N'-[3-[(1E,3E)-2,3-dichlorohexa-1,3,5-trienoxy]propyl]ethane-1,2-diamine has a molecular weight of 265.18 g/mol, XLogP of 2.33, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[(1E,3E)-2,3-dichlorohexa-1,3,5-trienoxy]propyl]ethane-1,2-diamine is sourced from PubChem (CID 142055513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).