(E)-4-imino-3-N-iodopent-2-ene-2,3-diamine

C5H10IN3 — CID 129258672

IUPAC(E)-4-imino-3-N-iodopent-2-ene-2,3-diamine
SMILES[H]/N=C(C)/C(NI)=C(/C)N
InChIInChI=1S/C5H10IN3/c1-3(7)5(9-6)4(2)8/h7,9H,8H2,1-2H3/b5-4+,7-3+
InChIKeyZCXULJZYACKQLW-JLVHPEPXSA-N
MW239.06 g/mol
LogP1.16
Rot. Bonds2

About (E)-4-imino-3-N-iodopent-2-ene-2,3-diamine

(E)-4-imino-3-N-iodopent-2-ene-2,3-diamine (PubChem CID 129258672) has the molecular formula C5H10IN3 and a molecular weight of 239.06 g/mol. Its IUPAC name is (E)-4-imino-3-N-iodopent-2-ene-2,3-diamine.

Molecular Properties

Compound Name(E)-4-imino-3-N-iodopent-2-ene-2,3-diamine
PubChem CID129258672
Molecular FormulaC5H10IN3
Molecular Weight239.06 g/mol
Exact Mass238.99
IUPAC Name(E)-4-imino-3-N-iodopent-2-ene-2,3-diamine
SMILES[H]/N=C(C)/C(NI)=C(/C)N
InChIInChI=1S/C5H10IN3/c1-3(7)5(9-6)4(2)8/h7,9H,8H2,1-2H3/b5-4+,7-3+
InChIKeyZCXULJZYACKQLW-JLVHPEPXSA-N
XLogP1.16
TPSA61.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.06
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-4-imino-3-N-iodopent-2-ene-2,3-diamine?
The IUPAC name of (E)-4-imino-3-N-iodopent-2-ene-2,3-diamine (CID 129258672) is (E)-4-imino-3-N-iodopent-2-ene-2,3-diamine.
What is the SMILES notation for (E)-4-imino-3-N-iodopent-2-ene-2,3-diamine?
The canonical SMILES for (E)-4-imino-3-N-iodopent-2-ene-2,3-diamine is [H]/N=C(C)/C(NI)=C(/C)N.
What is the InChIKey of (E)-4-imino-3-N-iodopent-2-ene-2,3-diamine?
The InChIKey is ZCXULJZYACKQLW-JLVHPEPXSA-N. The full InChI is InChI=1S/C5H10IN3/c1-3(7)5(9-6)4(2)8/h7,9H,8H2,1-2H3/b5-4+,7-3+.
What are the key properties of (E)-4-imino-3-N-iodopent-2-ene-2,3-diamine?
(E)-4-imino-3-N-iodopent-2-ene-2,3-diamine has a molecular weight of 239.06 g/mol, XLogP of 1.16, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-imino-3-N-iodopent-2-ene-2,3-diamine is sourced from PubChem (CID 129258672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).