N'-(5-bromo-2-pyridinyl)-N'-ethyl-N-iodo-N-methylethane-1,2-diamine

C10H15BrIN3 — CID 165394201

IUPACN'-(5-bromo-2-pyridinyl)-N'-ethyl-N-iodo-N-methylethane-1,2-diamine
SMILESCCN(CCN(C)I)c1ccc(Br)cn1
InChIInChI=1S/C10H15BrIN3/c1-3-15(7-6-14(2)12)10-5-4-9(11)8-13-10/h4-5,8H,3,6-7H2,1-2H3
InChIKeyRBVCLOPZGNZLGX-UHFFFAOYSA-N
MW384.06 g/mol
LogP2.95
Rot. Bonds5

About N'-(5-bromo-2-pyridinyl)-N'-ethyl-N-iodo-N-methylethane-1,2-diamine

N'-(5-bromo-2-pyridinyl)-N'-ethyl-N-iodo-N-methylethane-1,2-diamine (PubChem CID 165394201) has the molecular formula C10H15BrIN3 and a molecular weight of 384.06 g/mol. Its IUPAC name is N'-(5-bromo-2-pyridinyl)-N'-ethyl-N-iodo-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(5-bromo-2-pyridinyl)-N'-ethyl-N-iodo-N-methylethane-1,2-diamine
PubChem CID165394201
Molecular FormulaC10H15BrIN3
Molecular Weight384.06 g/mol
Exact Mass382.95
IUPAC NameN'-(5-bromo-2-pyridinyl)-N'-ethyl-N-iodo-N-methylethane-1,2-diamine
SMILESCCN(CCN(C)I)c1ccc(Br)cn1
InChIInChI=1S/C10H15BrIN3/c1-3-15(7-6-14(2)12)10-5-4-9(11)8-13-10/h4-5,8H,3,6-7H2,1-2H3
InChIKeyRBVCLOPZGNZLGX-UHFFFAOYSA-N
XLogP2.95
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.06
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 N'-(5-bromo-2-pyridinyl)-N'-ethyl-N-iodo-N-methylethane-1,2-diamine?
The IUPAC name of N'-(5-bromo-2-pyridinyl)-N'-ethyl-N-iodo-N-methylethane-1,2-diamine (CID 165394201) is N'-(5-bromo-2-pyridinyl)-N'-ethyl-N-iodo-N-methylethane-1,2-diamine.
What is the SMILES notation for N'-(5-bromo-2-pyridinyl)-N'-ethyl-N-iodo-N-methylethane-1,2-diamine?
The canonical SMILES for N'-(5-bromo-2-pyridinyl)-N'-ethyl-N-iodo-N-methylethane-1,2-diamine is CCN(CCN(C)I)c1ccc(Br)cn1.
What is the InChIKey of N'-(5-bromo-2-pyridinyl)-N'-ethyl-N-iodo-N-methylethane-1,2-diamine?
The InChIKey is RBVCLOPZGNZLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrIN3/c1-3-15(7-6-14(2)12)10-5-4-9(11)8-13-10/h4-5,8H,3,6-7H2,1-2H3.
What are the key properties of N'-(5-bromo-2-pyridinyl)-N'-ethyl-N-iodo-N-methylethane-1,2-diamine?
N'-(5-bromo-2-pyridinyl)-N'-ethyl-N-iodo-N-methylethane-1,2-diamine has a molecular weight of 384.06 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-bromo-2-pyridinyl)-N'-ethyl-N-iodo-N-methylethane-1,2-diamine is sourced from PubChem (CID 165394201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).