(Z)-3-[[(2E,4Z)-hexa-2,4-dien-2-yl]amino]-N'-iodoprop-2-enimidamide

C9H14IN3 — CID 134595890

IUPAC(Z)-3-[[(2E,4Z)-hexa-2,4-dien-2-yl]amino]-N'-iodoprop-2-enimidamide
SMILESC/C=C\C=C(/C)N/C=C\C(N)=NI
InChIInChI=1S/C9H14IN3/c1-3-4-5-8(2)12-7-6-9(11)13-10/h3-7,12H,1-2H3,(H2,11,13)/b4-3-,7-6-,8-5+
InChIKeyXXOGJYAIVCSYIU-UDPIHMSGSA-N
MW291.14 g/mol
LogP2.28
Rot. Bonds4

About (Z)-3-[[(2E,4Z)-hexa-2,4-dien-2-yl]amino]-N'-iodoprop-2-enimidamide

(Z)-3-[[(2E,4Z)-hexa-2,4-dien-2-yl]amino]-N'-iodoprop-2-enimidamide (PubChem CID 134595890) has the molecular formula C9H14IN3 and a molecular weight of 291.14 g/mol. Its IUPAC name is (Z)-3-[[(2E,4Z)-hexa-2,4-dien-2-yl]amino]-N'-iodoprop-2-enimidamide.

Molecular Properties

Compound Name(Z)-3-[[(2E,4Z)-hexa-2,4-dien-2-yl]amino]-N'-iodoprop-2-enimidamide
PubChem CID134595890
Molecular FormulaC9H14IN3
Molecular Weight291.14 g/mol
Exact Mass291.02
IUPAC Name(Z)-3-[[(2E,4Z)-hexa-2,4-dien-2-yl]amino]-N'-iodoprop-2-enimidamide
SMILESC/C=C\C=C(/C)N/C=C\C(N)=NI
InChIInChI=1S/C9H14IN3/c1-3-4-5-8(2)12-7-6-9(11)13-10/h3-7,12H,1-2H3,(H2,11,13)/b4-3-,7-6-,8-5+
InChIKeyXXOGJYAIVCSYIU-UDPIHMSGSA-N
XLogP2.28
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.14
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 (Z)-3-[[(2E,4Z)-hexa-2,4-dien-2-yl]amino]-N'-iodoprop-2-enimidamide?
The IUPAC name of (Z)-3-[[(2E,4Z)-hexa-2,4-dien-2-yl]amino]-N'-iodoprop-2-enimidamide (CID 134595890) is (Z)-3-[[(2E,4Z)-hexa-2,4-dien-2-yl]amino]-N'-iodoprop-2-enimidamide.
What is the SMILES notation for (Z)-3-[[(2E,4Z)-hexa-2,4-dien-2-yl]amino]-N'-iodoprop-2-enimidamide?
The canonical SMILES for (Z)-3-[[(2E,4Z)-hexa-2,4-dien-2-yl]amino]-N'-iodoprop-2-enimidamide is C/C=C\C=C(/C)N/C=C\C(N)=NI.
What is the InChIKey of (Z)-3-[[(2E,4Z)-hexa-2,4-dien-2-yl]amino]-N'-iodoprop-2-enimidamide?
The InChIKey is XXOGJYAIVCSYIU-UDPIHMSGSA-N. The full InChI is InChI=1S/C9H14IN3/c1-3-4-5-8(2)12-7-6-9(11)13-10/h3-7,12H,1-2H3,(H2,11,13)/b4-3-,7-6-,8-5+.
What are the key properties of (Z)-3-[[(2E,4Z)-hexa-2,4-dien-2-yl]amino]-N'-iodoprop-2-enimidamide?
(Z)-3-[[(2E,4Z)-hexa-2,4-dien-2-yl]amino]-N'-iodoprop-2-enimidamide has a molecular weight of 291.14 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[[(2E,4Z)-hexa-2,4-dien-2-yl]amino]-N'-iodoprop-2-enimidamide is sourced from PubChem (CID 134595890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).