2-methyl-N-(3-phenylselanylpropyl)propan-1-imine

C13H19NSe — CID 15350949

IUPAC2-methyl-N-(3-phenylselanylpropyl)propan-1-imine
SMILESCC(C)/C=N/CCC[Se]c1ccccc1
InChIInChI=1S/C13H19NSe/c1-12(2)11-14-9-6-10-15-13-7-4-3-5-8-13/h3-5,7-8,11-12H,6,9-10H2,1-2H3/b14-11+
InChIKeyYNPSDFJMYQOSQM-SDNWHVSQSA-N
MW268.26 g/mol
LogP2.55
Rot. Bonds6

About 2-methyl-N-(3-phenylselanylpropyl)propan-1-imine

2-methyl-N-(3-phenylselanylpropyl)propan-1-imine (PubChem CID 15350949) has the molecular formula C13H19NSe and a molecular weight of 268.26 g/mol. Its IUPAC name is 2-methyl-N-(3-phenylselanylpropyl)propan-1-imine.

Molecular Properties

Compound Name2-methyl-N-(3-phenylselanylpropyl)propan-1-imine
PubChem CID15350949
Molecular FormulaC13H19NSe
Molecular Weight268.26 g/mol
Exact Mass269.07
IUPAC Name2-methyl-N-(3-phenylselanylpropyl)propan-1-imine
SMILESCC(C)/C=N/CCC[Se]c1ccccc1
InChIInChI=1S/C13H19NSe/c1-12(2)11-14-9-6-10-15-13-7-4-3-5-8-13/h3-5,7-8,11-12H,6,9-10H2,1-2H3/b14-11+
InChIKeyYNPSDFJMYQOSQM-SDNWHVSQSA-N
XLogP2.55
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-phenylselanylpropyl)propan-1-imine?
The IUPAC name of 2-methyl-N-(3-phenylselanylpropyl)propan-1-imine (CID 15350949) is 2-methyl-N-(3-phenylselanylpropyl)propan-1-imine.
What is the SMILES notation for 2-methyl-N-(3-phenylselanylpropyl)propan-1-imine?
The canonical SMILES for 2-methyl-N-(3-phenylselanylpropyl)propan-1-imine is CC(C)/C=N/CCC[Se]c1ccccc1.
What is the InChIKey of 2-methyl-N-(3-phenylselanylpropyl)propan-1-imine?
The InChIKey is YNPSDFJMYQOSQM-SDNWHVSQSA-N. The full InChI is InChI=1S/C13H19NSe/c1-12(2)11-14-9-6-10-15-13-7-4-3-5-8-13/h3-5,7-8,11-12H,6,9-10H2,1-2H3/b14-11+.
What are the key properties of 2-methyl-N-(3-phenylselanylpropyl)propan-1-imine?
2-methyl-N-(3-phenylselanylpropyl)propan-1-imine has a molecular weight of 268.26 g/mol, XLogP of 2.55, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-phenylselanylpropyl)propan-1-imine is sourced from PubChem (CID 15350949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).