N,N-dibutylcarbamoselenoate

C9H18NOSe- — CID 137302661

IUPACN,N-dibutylcarbamoselenoate
SMILESCCCCN(CCCC)C(=O)[Se-]
InChIInChI=1S/C9H19NOSe/c1-3-5-7-10(9(11)12)8-6-4-2/h3-8H2,1-2H3,(H,11,12)/p-1
InChIKeyQQYSMPGVDCVXKT-UHFFFAOYSA-M
MW235.21 g/mol
LogP2.18
Rot. Bonds6

About N,N-dibutylcarbamoselenoate

N,N-dibutylcarbamoselenoate (PubChem CID 137302661) has the molecular formula C9H18NOSe- and a molecular weight of 235.21 g/mol. Its IUPAC name is N,N-dibutylcarbamoselenoate.

Molecular Properties

Compound NameN,N-dibutylcarbamoselenoate
PubChem CID137302661
Molecular FormulaC9H18NOSe-
Molecular Weight235.21 g/mol
Exact Mass236.06
IUPAC NameN,N-dibutylcarbamoselenoate
SMILESCCCCN(CCCC)C(=O)[Se-]
InChIInChI=1S/C9H19NOSe/c1-3-5-7-10(9(11)12)8-6-4-2/h3-8H2,1-2H3,(H,11,12)/p-1
InChIKeyQQYSMPGVDCVXKT-UHFFFAOYSA-M
XLogP2.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dibutylcarbamoselenoate?
The IUPAC name of N,N-dibutylcarbamoselenoate (CID 137302661) is N,N-dibutylcarbamoselenoate.
What is the SMILES notation for N,N-dibutylcarbamoselenoate?
The canonical SMILES for N,N-dibutylcarbamoselenoate is CCCCN(CCCC)C(=O)[Se-].
What is the InChIKey of N,N-dibutylcarbamoselenoate?
The InChIKey is QQYSMPGVDCVXKT-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H19NOSe/c1-3-5-7-10(9(11)12)8-6-4-2/h3-8H2,1-2H3,(H,11,12)/p-1.
What are the key properties of N,N-dibutylcarbamoselenoate?
N,N-dibutylcarbamoselenoate has a molecular weight of 235.21 g/mol, XLogP of 2.18, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutylcarbamoselenoate is sourced from PubChem (CID 137302661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).