N-ethylethanamine;(phenyldiselanyl)benzene

C16H21NSe2 — CID 87750147

IUPACN-ethylethanamine;(phenyldiselanyl)benzene
SMILESCCNCC.c1ccc([Se][Se]c2ccccc2)cc1
InChIInChI=1S/C12H10Se2.C4H11N/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12;1-3-5-4-2/h1-10H;5H,3-4H2,1-2H3
InChIKeyNEINUZGNBWUATQ-UHFFFAOYSA-N
MW385.27 g/mol
LogP1.58
Rot. Bonds5

About N-ethylethanamine;(phenyldiselanyl)benzene

N-ethylethanamine;(phenyldiselanyl)benzene (PubChem CID 87750147) has the molecular formula C16H21NSe2 and a molecular weight of 385.27 g/mol. Its IUPAC name is N-ethylethanamine;(phenyldiselanyl)benzene.

Molecular Properties

Compound NameN-ethylethanamine;(phenyldiselanyl)benzene
PubChem CID87750147
Molecular FormulaC16H21NSe2
Molecular Weight385.27 g/mol
Exact Mass387.00
IUPAC NameN-ethylethanamine;(phenyldiselanyl)benzene
SMILESCCNCC.c1ccc([Se][Se]c2ccccc2)cc1
InChIInChI=1S/C12H10Se2.C4H11N/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12;1-3-5-4-2/h1-10H;5H,3-4H2,1-2H3
InChIKeyNEINUZGNBWUATQ-UHFFFAOYSA-N
XLogP1.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.27
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

hydrogen peroxide;(phenyldiselanyl)benzene
CID 161157023
N-ethylethanamine;methanamine;toluene
CID 174650060
bicyclo[4.1.0]hepta-1,3,5-triene;N-ethylethanamine
CID 175235402
N-benzylethanamine;tris(yttrium)
CID 158198357
N-ethylethanamine;1-ethyl-2-[1,2,2-tris(2-ethylphenyl)ethyl]benzene
CID 67736887
N-ethylethanamine;2-phenylacetic acid
CID 143630479
N-(1,2-13C2)ethyl(1,2-13C2)ethanamine
CID 71309791
N-benzylethanamine;trimethylsilane
CID 173401135
pentakis(N-ethylethanamine);9H-fluorene
CID 172860190
N-ethylethanamine;4-(2-phenylethenyl)pyridine
CID 67628430
N-ethylethanamine;2-hydroxybenzoic acid;hydrate
CID 159203419
N-[[4-(2-phenylethyl)phenyl]methyl]ethanamine
CID 70892466

Frequently Asked Questions

What is the IUPAC name of N-ethylethanamine;(phenyldiselanyl)benzene?
The IUPAC name of N-ethylethanamine;(phenyldiselanyl)benzene (CID 87750147) is N-ethylethanamine;(phenyldiselanyl)benzene.
What is the SMILES notation for N-ethylethanamine;(phenyldiselanyl)benzene?
The canonical SMILES for N-ethylethanamine;(phenyldiselanyl)benzene is CCNCC.c1ccc([Se][Se]c2ccccc2)cc1.
What is the InChIKey of N-ethylethanamine;(phenyldiselanyl)benzene?
The InChIKey is NEINUZGNBWUATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Se2.C4H11N/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12;1-3-5-4-2/h1-10H;5H,3-4H2,1-2H3.
What are the key properties of N-ethylethanamine;(phenyldiselanyl)benzene?
N-ethylethanamine;(phenyldiselanyl)benzene has a molecular weight of 385.27 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylethanamine;(phenyldiselanyl)benzene is sourced from PubChem (CID 87750147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).