4-iodoiminocyclohex-5-ene-1,1,2-triamine

C6H11IN4 — CID 174138908

IUPAC4-iodoiminocyclohex-5-ene-1,1,2-triamine
SMILESNC1CC(=NI)C=CC1(N)N
InChIInChI=1S/C6H11IN4/c7-11-4-1-2-6(9,10)5(8)3-4/h1-2,5H,3,8-10H2
InChIKeyZSIZTDFNJIURSQ-UHFFFAOYSA-N
MW266.09 g/mol
LogP-0.32
Rot. Bonds

About 4-iodoiminocyclohex-5-ene-1,1,2-triamine

4-iodoiminocyclohex-5-ene-1,1,2-triamine (PubChem CID 174138908) has the molecular formula C6H11IN4 and a molecular weight of 266.09 g/mol. Its IUPAC name is 4-iodoiminocyclohex-5-ene-1,1,2-triamine.

Molecular Properties

Compound Name4-iodoiminocyclohex-5-ene-1,1,2-triamine
PubChem CID174138908
Molecular FormulaC6H11IN4
Molecular Weight266.09 g/mol
Exact Mass266.00
IUPAC Name4-iodoiminocyclohex-5-ene-1,1,2-triamine
SMILESNC1CC(=NI)C=CC1(N)N
InChIInChI=1S/C6H11IN4/c7-11-4-1-2-6(9,10)5(8)3-4/h1-2,5H,3,8-10H2
InChIKeyZSIZTDFNJIURSQ-UHFFFAOYSA-N
XLogP-0.32
TPSA90.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.09
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-iodoiminocyclohex-5-ene-1,1,2-triamine?
The IUPAC name of 4-iodoiminocyclohex-5-ene-1,1,2-triamine (CID 174138908) is 4-iodoiminocyclohex-5-ene-1,1,2-triamine.
What is the SMILES notation for 4-iodoiminocyclohex-5-ene-1,1,2-triamine?
The canonical SMILES for 4-iodoiminocyclohex-5-ene-1,1,2-triamine is NC1CC(=NI)C=CC1(N)N.
What is the InChIKey of 4-iodoiminocyclohex-5-ene-1,1,2-triamine?
The InChIKey is ZSIZTDFNJIURSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11IN4/c7-11-4-1-2-6(9,10)5(8)3-4/h1-2,5H,3,8-10H2.
What are the key properties of 4-iodoiminocyclohex-5-ene-1,1,2-triamine?
4-iodoiminocyclohex-5-ene-1,1,2-triamine has a molecular weight of 266.09 g/mol, XLogP of -0.32, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodoiminocyclohex-5-ene-1,1,2-triamine is sourced from PubChem (CID 174138908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).