1-(dimethyl-λ3-iodanyl)-N-[(3E)-hexa-1,3,5-trien-3-yl]methanimine

C9H14IN — CID 88560391

IUPAC1-(dimethyl-λ3-iodanyl)-N-[(3E)-hexa-1,3,5-trien-3-yl]methanimine
SMILESC=C/C=C(C=C)/N=C/I(C)C
InChIInChI=1S/C9H14IN/c1-5-7-9(6-2)11-8-10(3)4/h5-8H,1-2H2,3-4H3/b9-7+,11-8+
InChIKeyMYJZSFOGPROXTA-BIZFVBGRSA-N
MW263.12 g/mol
LogP3.04
Rot. Bonds4

About 1-(dimethyl-λ3-iodanyl)-N-[(3E)-hexa-1,3,5-trien-3-yl]methanimine

1-(dimethyl-λ3-iodanyl)-N-[(3E)-hexa-1,3,5-trien-3-yl]methanimine (PubChem CID 88560391) has the molecular formula C9H14IN and a molecular weight of 263.12 g/mol. Its IUPAC name is 1-(dimethyl-λ3-iodanyl)-N-[(3E)-hexa-1,3,5-trien-3-yl]methanimine.

Molecular Properties

Compound Name1-(dimethyl-λ3-iodanyl)-N-[(3E)-hexa-1,3,5-trien-3-yl]methanimine
PubChem CID88560391
Molecular FormulaC9H14IN
Molecular Weight263.12 g/mol
Exact Mass263.02
IUPAC Name1-(dimethyl-λ3-iodanyl)-N-[(3E)-hexa-1,3,5-trien-3-yl]methanimine
SMILESC=C/C=C(C=C)/N=C/I(C)C
InChIInChI=1S/C9H14IN/c1-5-7-9(6-2)11-8-10(3)4/h5-8H,1-2H2,3-4H3/b9-7+,11-8+
InChIKeyMYJZSFOGPROXTA-BIZFVBGRSA-N
XLogP3.04
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.12
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(dimethyl-λ3-iodanyl)-N-[(3E)-hexa-1,3,5-trien-3-yl]methanimine?
The IUPAC name of 1-(dimethyl-λ3-iodanyl)-N-[(3E)-hexa-1,3,5-trien-3-yl]methanimine (CID 88560391) is 1-(dimethyl-λ3-iodanyl)-N-[(3E)-hexa-1,3,5-trien-3-yl]methanimine.
What is the SMILES notation for 1-(dimethyl-λ3-iodanyl)-N-[(3E)-hexa-1,3,5-trien-3-yl]methanimine?
The canonical SMILES for 1-(dimethyl-λ3-iodanyl)-N-[(3E)-hexa-1,3,5-trien-3-yl]methanimine is C=C/C=C(C=C)/N=C/I(C)C.
What is the InChIKey of 1-(dimethyl-λ3-iodanyl)-N-[(3E)-hexa-1,3,5-trien-3-yl]methanimine?
The InChIKey is MYJZSFOGPROXTA-BIZFVBGRSA-N. The full InChI is InChI=1S/C9H14IN/c1-5-7-9(6-2)11-8-10(3)4/h5-8H,1-2H2,3-4H3/b9-7+,11-8+.
What are the key properties of 1-(dimethyl-λ3-iodanyl)-N-[(3E)-hexa-1,3,5-trien-3-yl]methanimine?
1-(dimethyl-λ3-iodanyl)-N-[(3E)-hexa-1,3,5-trien-3-yl]methanimine has a molecular weight of 263.12 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethyl-λ3-iodanyl)-N-[(3E)-hexa-1,3,5-trien-3-yl]methanimine is sourced from PubChem (CID 88560391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).