[2-[4-(diamino-λ3-iodanyl)phenyl]-1H-indol-6-yl]methanediamine

C15H18IN5 — CID 143537883

IUPAC[2-[4-(diamino-λ3-iodanyl)phenyl]-1H-indol-6-yl]methanediamine
SMILESNC(N)c1ccc2cc(-c3ccc(I(N)N)cc3)[nH]c2c1
InChIInChI=1S/C15H18IN5/c17-15(18)11-2-1-10-7-13(21-14(10)8-11)9-3-5-12(6-4-9)16(19)20/h1-8,15,21H,17-20H2
InChIKeySFCLOZNZOMMPNN-UHFFFAOYSA-N
MW395.25 g/mol
LogP2.17
Rot. Bonds3

About [2-[4-(diamino-λ3-iodanyl)phenyl]-1H-indol-6-yl]methanediamine

[2-[4-(diamino-λ3-iodanyl)phenyl]-1H-indol-6-yl]methanediamine (PubChem CID 143537883) has the molecular formula C15H18IN5 and a molecular weight of 395.25 g/mol. Its IUPAC name is [2-[4-(diamino-λ3-iodanyl)phenyl]-1H-indol-6-yl]methanediamine.

Molecular Properties

Compound Name[2-[4-(diamino-λ3-iodanyl)phenyl]-1H-indol-6-yl]methanediamine
PubChem CID143537883
Molecular FormulaC15H18IN5
Molecular Weight395.25 g/mol
Exact Mass395.06
IUPAC Name[2-[4-(diamino-λ3-iodanyl)phenyl]-1H-indol-6-yl]methanediamine
SMILESNC(N)c1ccc2cc(-c3ccc(I(N)N)cc3)[nH]c2c1
InChIInChI=1S/C15H18IN5/c17-15(18)11-2-1-10-7-13(21-14(10)8-11)9-3-5-12(6-4-9)16(19)20/h1-8,15,21H,17-20H2
InChIKeySFCLOZNZOMMPNN-UHFFFAOYSA-N
XLogP2.17
TPSA119.87 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.25
LogP ≤ 52.17
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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 [2-[4-(diamino-λ3-iodanyl)phenyl]-1H-indol-6-yl]methanediamine?
The IUPAC name of [2-[4-(diamino-λ3-iodanyl)phenyl]-1H-indol-6-yl]methanediamine (CID 143537883) is [2-[4-(diamino-λ3-iodanyl)phenyl]-1H-indol-6-yl]methanediamine.
What is the SMILES notation for [2-[4-(diamino-λ3-iodanyl)phenyl]-1H-indol-6-yl]methanediamine?
The canonical SMILES for [2-[4-(diamino-λ3-iodanyl)phenyl]-1H-indol-6-yl]methanediamine is NC(N)c1ccc2cc(-c3ccc(I(N)N)cc3)[nH]c2c1.
What is the InChIKey of [2-[4-(diamino-λ3-iodanyl)phenyl]-1H-indol-6-yl]methanediamine?
The InChIKey is SFCLOZNZOMMPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18IN5/c17-15(18)11-2-1-10-7-13(21-14(10)8-11)9-3-5-12(6-4-9)16(19)20/h1-8,15,21H,17-20H2.
What are the key properties of [2-[4-(diamino-λ3-iodanyl)phenyl]-1H-indol-6-yl]methanediamine?
[2-[4-(diamino-λ3-iodanyl)phenyl]-1H-indol-6-yl]methanediamine has a molecular weight of 395.25 g/mol, XLogP of 2.17, 3 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(diamino-λ3-iodanyl)phenyl]-1H-indol-6-yl]methanediamine is sourced from PubChem (CID 143537883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).