3-N-decyl-5-iodo-2-N-methylpyridine-2,3-diamine

C16H28IN3 — CID 157403237

IUPAC3-N-decyl-5-iodo-2-N-methylpyridine-2,3-diamine
SMILESCCCCCCCCCCNc1cc(I)cnc1NC
InChIInChI=1S/C16H28IN3/c1-3-4-5-6-7-8-9-10-11-19-15-12-14(17)13-20-16(15)18-2/h12-13,19H,3-11H2,1-2H3,(H,18,20)
InChIKeyUUSQWIRLMYMRBN-UHFFFAOYSA-N
MW389.33 g/mol
LogP5.28
Rot. Bonds11

About 3-N-decyl-5-iodo-2-N-methylpyridine-2,3-diamine

3-N-decyl-5-iodo-2-N-methylpyridine-2,3-diamine (PubChem CID 157403237) has the molecular formula C16H28IN3 and a molecular weight of 389.33 g/mol. Its IUPAC name is 3-N-decyl-5-iodo-2-N-methylpyridine-2,3-diamine.

Molecular Properties

Compound Name3-N-decyl-5-iodo-2-N-methylpyridine-2,3-diamine
PubChem CID157403237
Molecular FormulaC16H28IN3
Molecular Weight389.33 g/mol
Exact Mass389.13
IUPAC Name3-N-decyl-5-iodo-2-N-methylpyridine-2,3-diamine
SMILESCCCCCCCCCCNc1cc(I)cnc1NC
InChIInChI=1S/C16H28IN3/c1-3-4-5-6-7-8-9-10-11-19-15-12-14(17)13-20-16(15)18-2/h12-13,19H,3-11H2,1-2H3,(H,18,20)
InChIKeyUUSQWIRLMYMRBN-UHFFFAOYSA-N
XLogP5.28
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.33
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-N-decyl-5-iodo-2-N-methylpyridine-2,3-diamine?
The IUPAC name of 3-N-decyl-5-iodo-2-N-methylpyridine-2,3-diamine (CID 157403237) is 3-N-decyl-5-iodo-2-N-methylpyridine-2,3-diamine.
What is the SMILES notation for 3-N-decyl-5-iodo-2-N-methylpyridine-2,3-diamine?
The canonical SMILES for 3-N-decyl-5-iodo-2-N-methylpyridine-2,3-diamine is CCCCCCCCCCNc1cc(I)cnc1NC.
What is the InChIKey of 3-N-decyl-5-iodo-2-N-methylpyridine-2,3-diamine?
The InChIKey is UUSQWIRLMYMRBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28IN3/c1-3-4-5-6-7-8-9-10-11-19-15-12-14(17)13-20-16(15)18-2/h12-13,19H,3-11H2,1-2H3,(H,18,20).
What are the key properties of 3-N-decyl-5-iodo-2-N-methylpyridine-2,3-diamine?
3-N-decyl-5-iodo-2-N-methylpyridine-2,3-diamine has a molecular weight of 389.33 g/mol, XLogP of 5.28, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-decyl-5-iodo-2-N-methylpyridine-2,3-diamine is sourced from PubChem (CID 157403237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).