(1E,3Z,5E)-2,5-diiodohepta-1,3,5-trien-1-amine

C7H9I2N — CID 130347858

IUPAC(1E,3Z,5E)-2,5-diiodohepta-1,3,5-trien-1-amine
SMILESC/C=C(I)\C=C/C(I)=C\N
InChIInChI=1S/C7H9I2N/c1-2-6(8)3-4-7(9)5-10/h2-5H,10H2,1H3/b4-3-,6-2+,7-5+
InChIKeyULMDYGQFGSDJOA-UWPVTECISA-N
MW360.96 g/mol
LogP3.12
Rot. Bonds2

About (1E,3Z,5E)-2,5-diiodohepta-1,3,5-trien-1-amine

(1E,3Z,5E)-2,5-diiodohepta-1,3,5-trien-1-amine (PubChem CID 130347858) has the molecular formula C7H9I2N and a molecular weight of 360.96 g/mol. Its IUPAC name is (1E,3Z,5E)-2,5-diiodohepta-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1E,3Z,5E)-2,5-diiodohepta-1,3,5-trien-1-amine
PubChem CID130347858
Molecular FormulaC7H9I2N
Molecular Weight360.96 g/mol
Exact Mass360.88
IUPAC Name(1E,3Z,5E)-2,5-diiodohepta-1,3,5-trien-1-amine
SMILESC/C=C(I)\C=C/C(I)=C\N
InChIInChI=1S/C7H9I2N/c1-2-6(8)3-4-7(9)5-10/h2-5H,10H2,1H3/b4-3-,6-2+,7-5+
InChIKeyULMDYGQFGSDJOA-UWPVTECISA-N
XLogP3.12
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.96
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2Z,4Z,6Z)-3-iodoocta-2,4,6-triene
CID 88904584
1-iodoprop-1-en-1-amine
CID 141312363
1-fluoro-1-iodoprop-1-ene
CID 175825519
(Z)-3-amino-2-methylprop-2-enethial
CID 89371085
(2E,4E)-2-chloro-4-iodohexa-2,4-diene
CID 163726069
(1E,3Z)-2,3-dimethylbuta-1,3-diene-1,4-diamine
CID 167286267
(Z)-3-aminoprop-2-enoyl iodide
CID 163526607
2-chloroprop-1-en-1-amine
CID 151379752
2-iodobut-2-enamide
CID 174630742
(1Z,4Z)-1-aminohexa-1,4-dien-3-one
CID 143438957
(E)-2-iodo-3-(trideuteriomethylimino)but-1-en-1-amine
CID 167326799
(1E,3Z,4Z)-3-ethylidene-2-(methylideneamino)hexa-1,4-dien-1-amine
CID 166695623

Frequently Asked Questions

What is the IUPAC name of (1E,3Z,5E)-2,5-diiodohepta-1,3,5-trien-1-amine?
The IUPAC name of (1E,3Z,5E)-2,5-diiodohepta-1,3,5-trien-1-amine (CID 130347858) is (1E,3Z,5E)-2,5-diiodohepta-1,3,5-trien-1-amine.
What is the SMILES notation for (1E,3Z,5E)-2,5-diiodohepta-1,3,5-trien-1-amine?
The canonical SMILES for (1E,3Z,5E)-2,5-diiodohepta-1,3,5-trien-1-amine is C/C=C(I)\C=C/C(I)=C\N.
What is the InChIKey of (1E,3Z,5E)-2,5-diiodohepta-1,3,5-trien-1-amine?
The InChIKey is ULMDYGQFGSDJOA-UWPVTECISA-N. The full InChI is InChI=1S/C7H9I2N/c1-2-6(8)3-4-7(9)5-10/h2-5H,10H2,1H3/b4-3-,6-2+,7-5+.
What are the key properties of (1E,3Z,5E)-2,5-diiodohepta-1,3,5-trien-1-amine?
(1E,3Z,5E)-2,5-diiodohepta-1,3,5-trien-1-amine has a molecular weight of 360.96 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z,5E)-2,5-diiodohepta-1,3,5-trien-1-amine is sourced from PubChem (CID 130347858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).