N-pentan-3-yl-4-phenylselanylbutan-1-imine

C15H23NSe — CID 139265933

IUPACN-pentan-3-yl-4-phenylselanylbutan-1-imine
SMILESCCC(CC)/N=C/CCC[Se]c1ccccc1
InChIInChI=1S/C15H23NSe/c1-3-14(4-2)16-12-8-9-13-17-15-10-6-5-7-11-15/h5-7,10-12,14H,3-4,8-9,13H2,1-2H3/b16-12+
InChIKeyXCRWQPAENSWGFU-FOWTUZBSSA-N
MW296.32 g/mol
LogP3.47
Rot. Bonds8

About N-pentan-3-yl-4-phenylselanylbutan-1-imine

N-pentan-3-yl-4-phenylselanylbutan-1-imine (PubChem CID 139265933) has the molecular formula C15H23NSe and a molecular weight of 296.32 g/mol. Its IUPAC name is N-pentan-3-yl-4-phenylselanylbutan-1-imine.

Molecular Properties

Compound NameN-pentan-3-yl-4-phenylselanylbutan-1-imine
PubChem CID139265933
Molecular FormulaC15H23NSe
Molecular Weight296.32 g/mol
Exact Mass297.10
IUPAC NameN-pentan-3-yl-4-phenylselanylbutan-1-imine
SMILESCCC(CC)/N=C/CCC[Se]c1ccccc1
InChIInChI=1S/C15H23NSe/c1-3-14(4-2)16-12-8-9-13-17-15-10-6-5-7-11-15/h5-7,10-12,14H,3-4,8-9,13H2,1-2H3/b16-12+
InChIKeyXCRWQPAENSWGFU-FOWTUZBSSA-N
XLogP3.47
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 53.47
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 N-pentan-3-yl-4-phenylselanylbutan-1-imine?
The IUPAC name of N-pentan-3-yl-4-phenylselanylbutan-1-imine (CID 139265933) is N-pentan-3-yl-4-phenylselanylbutan-1-imine.
What is the SMILES notation for N-pentan-3-yl-4-phenylselanylbutan-1-imine?
The canonical SMILES for N-pentan-3-yl-4-phenylselanylbutan-1-imine is CCC(CC)/N=C/CCC[Se]c1ccccc1.
What is the InChIKey of N-pentan-3-yl-4-phenylselanylbutan-1-imine?
The InChIKey is XCRWQPAENSWGFU-FOWTUZBSSA-N. The full InChI is InChI=1S/C15H23NSe/c1-3-14(4-2)16-12-8-9-13-17-15-10-6-5-7-11-15/h5-7,10-12,14H,3-4,8-9,13H2,1-2H3/b16-12+.
What are the key properties of N-pentan-3-yl-4-phenylselanylbutan-1-imine?
N-pentan-3-yl-4-phenylselanylbutan-1-imine has a molecular weight of 296.32 g/mol, XLogP of 3.47, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-3-yl-4-phenylselanylbutan-1-imine is sourced from PubChem (CID 139265933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).