(3E,5Z)-N-iodohepta-1,3,5-trien-4-amine

C7H10IN — CID 144727165

IUPAC(3E,5Z)-N-iodohepta-1,3,5-trien-4-amine
SMILESC=C/C=C(\C=C/C)NI
InChIInChI=1S/C7H10IN/c1-3-5-7(9-8)6-4-2/h3-6,9H,1H2,2H3/b6-4-,7-5+
InChIKeyBUCFXWGODICUFI-XGXWUAJZSA-N
MW235.07 g/mol
LogP2.57
Rot. Bonds3

About (3E,5Z)-N-iodohepta-1,3,5-trien-4-amine

(3E,5Z)-N-iodohepta-1,3,5-trien-4-amine (PubChem CID 144727165) has the molecular formula C7H10IN and a molecular weight of 235.07 g/mol. Its IUPAC name is (3E,5Z)-N-iodohepta-1,3,5-trien-4-amine.

Molecular Properties

Compound Name(3E,5Z)-N-iodohepta-1,3,5-trien-4-amine
PubChem CID144727165
Molecular FormulaC7H10IN
Molecular Weight235.07 g/mol
Exact Mass234.99
IUPAC Name(3E,5Z)-N-iodohepta-1,3,5-trien-4-amine
SMILESC=C/C=C(\C=C/C)NI
InChIInChI=1S/C7H10IN/c1-3-5-7(9-8)6-4-2/h3-6,9H,1H2,2H3/b6-4-,7-5+
InChIKeyBUCFXWGODICUFI-XGXWUAJZSA-N
XLogP2.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.07
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]thiohydroxylamine
CID 143724474
ethane;[(3E,5Z)-hepta-1,3,5-trien-4-yl]hydrazine
CID 142089617
2-[[(3E,5Z)-hepta-1,3,5-trien-4-yl]amino]ethanol
CID 142933959
(2E,4E)-4-[[(3E,5Z)-hepta-1,3,5-trien-4-yl]amino]hepta-2,4,6-trien-2-ol
CID 146261857
(3Z,5Z)-hepta-1,3,5-trien-4-amine
CID 171106725
N,N-dimethylmethanamine;(3E,5Z)-hepta-1,3,5-trien-4-amine
CID 144734718
butan-2-one;ethane;N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]formamide
CID 142225178
1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]urea
CID 166820830
(2E,3E)-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-hydroxy-2-prop-2-enylidenehexa-3,5-dienamide
CID 143020297
N,N-dimethylhepta-1,3,5-trien-4-amine
CID 72511358
4-bromo-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]aniline;ethane
CID 142614749
(3E)-2-[[(3E,5Z)-hepta-1,3,5-trien-4-yl]amino]-3-[(Z)-prop-1-enyl]hexa-3,5-dienamide
CID 142824224

Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-N-iodohepta-1,3,5-trien-4-amine?
The IUPAC name of (3E,5Z)-N-iodohepta-1,3,5-trien-4-amine (CID 144727165) is (3E,5Z)-N-iodohepta-1,3,5-trien-4-amine.
What is the SMILES notation for (3E,5Z)-N-iodohepta-1,3,5-trien-4-amine?
The canonical SMILES for (3E,5Z)-N-iodohepta-1,3,5-trien-4-amine is C=C/C=C(\C=C/C)NI.
What is the InChIKey of (3E,5Z)-N-iodohepta-1,3,5-trien-4-amine?
The InChIKey is BUCFXWGODICUFI-XGXWUAJZSA-N. The full InChI is InChI=1S/C7H10IN/c1-3-5-7(9-8)6-4-2/h3-6,9H,1H2,2H3/b6-4-,7-5+.
What are the key properties of (3E,5Z)-N-iodohepta-1,3,5-trien-4-amine?
(3E,5Z)-N-iodohepta-1,3,5-trien-4-amine has a molecular weight of 235.07 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-N-iodohepta-1,3,5-trien-4-amine is sourced from PubChem (CID 144727165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).