(Z,2Z)-2-(2-iodopropylidene)-3-N-[(E)-prop-1-enyl]hex-4-ene-1,3-diimine

C12H17IN2 — CID 139566184

IUPAC(Z,2Z)-2-(2-iodopropylidene)-3-N-[(E)-prop-1-enyl]hex-4-ene-1,3-diimine
SMILES[H]/N=C/C(=C/C(C)I)C(/C=C\C)=N/C=C/C
InChIInChI=1S/C12H17IN2/c1-4-6-12(15-7-5-2)11(9-14)8-10(3)13/h4-10,14H,1-3H3/b6-4-,7-5+,11-8-,14-9+,15-12+
InChIKeyLRNALFXWJQKCEZ-JTNKUQJTSA-N
MW316.19 g/mol
LogP3.94
Rot. Bonds5

About (Z,2Z)-2-(2-iodopropylidene)-3-N-[(E)-prop-1-enyl]hex-4-ene-1,3-diimine

(Z,2Z)-2-(2-iodopropylidene)-3-N-[(E)-prop-1-enyl]hex-4-ene-1,3-diimine (PubChem CID 139566184) has the molecular formula C12H17IN2 and a molecular weight of 316.19 g/mol. Its IUPAC name is (Z,2Z)-2-(2-iodopropylidene)-3-N-[(E)-prop-1-enyl]hex-4-ene-1,3-diimine.

Molecular Properties

Compound Name(Z,2Z)-2-(2-iodopropylidene)-3-N-[(E)-prop-1-enyl]hex-4-ene-1,3-diimine
PubChem CID139566184
Molecular FormulaC12H17IN2
Molecular Weight316.19 g/mol
Exact Mass316.04
IUPAC Name(Z,2Z)-2-(2-iodopropylidene)-3-N-[(E)-prop-1-enyl]hex-4-ene-1,3-diimine
SMILES[H]/N=C/C(=C/C(C)I)C(/C=C\C)=N/C=C/C
InChIInChI=1S/C12H17IN2/c1-4-6-12(15-7-5-2)11(9-14)8-10(3)13/h4-10,14H,1-3H3/b6-4-,7-5+,11-8-,14-9+,15-12+
InChIKeyLRNALFXWJQKCEZ-JTNKUQJTSA-N
XLogP3.94
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.19
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'}

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Related Compounds

(1Z,3Z,7E,9Z)-7-(dimethyl-lambda3-iodanyl)-9-(ethylideneamino)-8-(1-fluoroethenyl)-6-imino-3-methylundeca-1,3,7,9-tetraen-1-amine
CID 163707955
(3Z)-3-ethylidene-N-methylpyridin-4-imine
CID 68179744
(3Z)-3-[1-(ethylideneamino)ethylidene]pyridin-4-imine
CID 89712822
3-[(ethylideneamino)methylidene]-N-methylocta-1,5-dien-4-imine
CID 90685395
(4E,7Z)-5-methyl-8-N,6-dimethylideneocta-4,7-diene-3,8-diimine
CID 90943080
(Z)-1-N-ethyl-2-N-methyl-6-methylidenehept-3-ene-1,2,7-triimine
CID 123329124
1-[(5Z,7Z)-azonin-4-ylidene]pent-1-en-3-imine
CID 123792940
(Z,2Z)-2-ethylidene-3-N-methylhex-4-ene-1,3-diimine
CID 123844789
(Z)-5-[(Z)-2-(ethylideneamino)ethenyl]oct-5-en-4-imine
CID 123977223
(E)-4-N-ethenyl-2-prop-2-enyl-1-N-propylpent-2-ene-1,4-diimine
CID 129170346
(E)-3-[(Z)-2-(propan-2-ylideneamino)ethenyl]hept-3-en-2-imine
CID 134345755
(2E,4Z)-6-methyl-2-[(methylideneamino)methylidene]hepta-4,6-diene-1,3-diimine
CID 139323966

Frequently Asked Questions

What is the IUPAC name of (Z,2Z)-2-(2-iodopropylidene)-3-N-[(E)-prop-1-enyl]hex-4-ene-1,3-diimine?
The IUPAC name of (Z,2Z)-2-(2-iodopropylidene)-3-N-[(E)-prop-1-enyl]hex-4-ene-1,3-diimine (CID 139566184) is (Z,2Z)-2-(2-iodopropylidene)-3-N-[(E)-prop-1-enyl]hex-4-ene-1,3-diimine.
What is the SMILES notation for (Z,2Z)-2-(2-iodopropylidene)-3-N-[(E)-prop-1-enyl]hex-4-ene-1,3-diimine?
The canonical SMILES for (Z,2Z)-2-(2-iodopropylidene)-3-N-[(E)-prop-1-enyl]hex-4-ene-1,3-diimine is [H]/N=C/C(=C/C(C)I)C(/C=C\C)=N/C=C/C.
What is the InChIKey of (Z,2Z)-2-(2-iodopropylidene)-3-N-[(E)-prop-1-enyl]hex-4-ene-1,3-diimine?
The InChIKey is LRNALFXWJQKCEZ-JTNKUQJTSA-N. The full InChI is InChI=1S/C12H17IN2/c1-4-6-12(15-7-5-2)11(9-14)8-10(3)13/h4-10,14H,1-3H3/b6-4-,7-5+,11-8-,14-9+,15-12+.
What are the key properties of (Z,2Z)-2-(2-iodopropylidene)-3-N-[(E)-prop-1-enyl]hex-4-ene-1,3-diimine?
(Z,2Z)-2-(2-iodopropylidene)-3-N-[(E)-prop-1-enyl]hex-4-ene-1,3-diimine has a molecular weight of 316.19 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2Z)-2-(2-iodopropylidene)-3-N-[(E)-prop-1-enyl]hex-4-ene-1,3-diimine is sourced from PubChem (CID 139566184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).