(1Z,3E)-4-ethenyl-5-hydrazinyl-3-iodo-2-methylhexa-1,3,5-trien-1-amine

C9H14IN3 — CID 88579476

IUPAC(1Z,3E)-4-ethenyl-5-hydrazinyl-3-iodo-2-methylhexa-1,3,5-trien-1-amine
SMILESC=C/C(C(=C)NN)=C(I)/C(C)=C\N
InChIInChI=1S/C9H14IN3/c1-4-8(7(3)13-12)9(10)6(2)5-11/h4-5,13H,1,3,11-12H2,2H3/b6-5-,9-8+
InChIKeyUGZAYPJTZZBPIL-UEPDSTOUSA-N
MW291.14 g/mol
LogP1.70
Rot. Bonds4

About (1Z,3E)-4-ethenyl-5-hydrazinyl-3-iodo-2-methylhexa-1,3,5-trien-1-amine

(1Z,3E)-4-ethenyl-5-hydrazinyl-3-iodo-2-methylhexa-1,3,5-trien-1-amine (PubChem CID 88579476) has the molecular formula C9H14IN3 and a molecular weight of 291.14 g/mol. Its IUPAC name is (1Z,3E)-4-ethenyl-5-hydrazinyl-3-iodo-2-methylhexa-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1Z,3E)-4-ethenyl-5-hydrazinyl-3-iodo-2-methylhexa-1,3,5-trien-1-amine
PubChem CID88579476
Molecular FormulaC9H14IN3
Molecular Weight291.14 g/mol
Exact Mass291.02
IUPAC Name(1Z,3E)-4-ethenyl-5-hydrazinyl-3-iodo-2-methylhexa-1,3,5-trien-1-amine
SMILESC=C/C(C(=C)NN)=C(I)/C(C)=C\N
InChIInChI=1S/C9H14IN3/c1-4-8(7(3)13-12)9(10)6(2)5-11/h4-5,13H,1,3,11-12H2,2H3/b6-5-,9-8+
InChIKeyUGZAYPJTZZBPIL-UEPDSTOUSA-N
XLogP1.70
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.14
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1Z,3E)-4-ethenyl-5-hydrazinyl-3-iodo-2-methylhexa-1,3,5-trien-1-amine?
The IUPAC name of (1Z,3E)-4-ethenyl-5-hydrazinyl-3-iodo-2-methylhexa-1,3,5-trien-1-amine (CID 88579476) is (1Z,3E)-4-ethenyl-5-hydrazinyl-3-iodo-2-methylhexa-1,3,5-trien-1-amine.
What is the SMILES notation for (1Z,3E)-4-ethenyl-5-hydrazinyl-3-iodo-2-methylhexa-1,3,5-trien-1-amine?
The canonical SMILES for (1Z,3E)-4-ethenyl-5-hydrazinyl-3-iodo-2-methylhexa-1,3,5-trien-1-amine is C=C/C(C(=C)NN)=C(I)/C(C)=C\N.
What is the InChIKey of (1Z,3E)-4-ethenyl-5-hydrazinyl-3-iodo-2-methylhexa-1,3,5-trien-1-amine?
The InChIKey is UGZAYPJTZZBPIL-UEPDSTOUSA-N. The full InChI is InChI=1S/C9H14IN3/c1-4-8(7(3)13-12)9(10)6(2)5-11/h4-5,13H,1,3,11-12H2,2H3/b6-5-,9-8+.
What are the key properties of (1Z,3E)-4-ethenyl-5-hydrazinyl-3-iodo-2-methylhexa-1,3,5-trien-1-amine?
(1Z,3E)-4-ethenyl-5-hydrazinyl-3-iodo-2-methylhexa-1,3,5-trien-1-amine has a molecular weight of 291.14 g/mol, XLogP of 1.70, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E)-4-ethenyl-5-hydrazinyl-3-iodo-2-methylhexa-1,3,5-trien-1-amine is sourced from PubChem (CID 88579476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).