N,N'-bis[(2E,4E)-hexa-2,4-dienyl]ethane-1,2-diamine

C14H24N2 — CID 22765269

IUPACN,N'-bis[(2E,4E)-hexa-2,4-dienyl]ethane-1,2-diamine
SMILESC/C=C/C=C/CNCCNC/C=C/C=C/C
InChIInChI=1S/C14H24N2/c1-3-5-7-9-11-15-13-14-16-12-10-8-6-4-2/h3-10,15-16H,11-14H2,1-2H3/b5-3+,6-4+,9-7+,10-8+
InChIKeySOCDFMVWFUYFRW-MIIZMDLZSA-N
MW220.36 g/mol
LogP2.43
Rot. Bonds9

About N,N'-bis[(2E,4E)-hexa-2,4-dienyl]ethane-1,2-diamine

N,N'-bis[(2E,4E)-hexa-2,4-dienyl]ethane-1,2-diamine (PubChem CID 22765269) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is N,N'-bis[(2E,4E)-hexa-2,4-dienyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-bis[(2E,4E)-hexa-2,4-dienyl]ethane-1,2-diamine
PubChem CID22765269
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC NameN,N'-bis[(2E,4E)-hexa-2,4-dienyl]ethane-1,2-diamine
SMILESC/C=C/C=C/CNCCNC/C=C/C=C/C
InChIInChI=1S/C14H24N2/c1-3-5-7-9-11-15-13-14-16-12-10-8-6-4-2/h3-10,15-16H,11-14H2,1-2H3/b5-3+,6-4+,9-7+,10-8+
InChIKeySOCDFMVWFUYFRW-MIIZMDLZSA-N
XLogP2.43
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(2E,4E)-hexa-2,4-dienyl]ethane-1,2-diamine?
The IUPAC name of N,N'-bis[(2E,4E)-hexa-2,4-dienyl]ethane-1,2-diamine (CID 22765269) is N,N'-bis[(2E,4E)-hexa-2,4-dienyl]ethane-1,2-diamine.
What is the SMILES notation for N,N'-bis[(2E,4E)-hexa-2,4-dienyl]ethane-1,2-diamine?
The canonical SMILES for N,N'-bis[(2E,4E)-hexa-2,4-dienyl]ethane-1,2-diamine is C/C=C/C=C/CNCCNC/C=C/C=C/C.
What is the InChIKey of N,N'-bis[(2E,4E)-hexa-2,4-dienyl]ethane-1,2-diamine?
The InChIKey is SOCDFMVWFUYFRW-MIIZMDLZSA-N. The full InChI is InChI=1S/C14H24N2/c1-3-5-7-9-11-15-13-14-16-12-10-8-6-4-2/h3-10,15-16H,11-14H2,1-2H3/b5-3+,6-4+,9-7+,10-8+.
What are the key properties of N,N'-bis[(2E,4E)-hexa-2,4-dienyl]ethane-1,2-diamine?
N,N'-bis[(2E,4E)-hexa-2,4-dienyl]ethane-1,2-diamine has a molecular weight of 220.36 g/mol, XLogP of 2.43, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(2E,4E)-hexa-2,4-dienyl]ethane-1,2-diamine is sourced from PubChem (CID 22765269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).