N-butyl-N'-triethylstannylbutanediamide

C14H30N2O2Sn — CID 12550555

IUPACN-butyl-N'-triethylstannylbutanediamide
SMILESCCCCNC(=O)CCC(=O)N[Sn](CC)(CC)CC
InChIInChI=1S/C8H16N2O2.3C2H5.Sn/c1-2-3-6-10-8(12)5-4-7(9)11;3*1-2;/h2-6H2,1H3,(H3,9,10,11,12);3*1H2,2H3;/q;;;;+1/p-1
InChIKeyHYUJQPOUZMUEOI-UHFFFAOYSA-M
MW377.12 g/mol
LogP2.80
Rot. Bonds10

About N-butyl-N'-triethylstannylbutanediamide

N-butyl-N'-triethylstannylbutanediamide (PubChem CID 12550555) has the molecular formula C14H30N2O2Sn and a molecular weight of 377.12 g/mol. Its IUPAC name is N-butyl-N'-triethylstannylbutanediamide.

Molecular Properties

Compound NameN-butyl-N'-triethylstannylbutanediamide
PubChem CID12550555
Molecular FormulaC14H30N2O2Sn
Molecular Weight377.12 g/mol
Exact Mass378.13
IUPAC NameN-butyl-N'-triethylstannylbutanediamide
SMILESCCCCNC(=O)CCC(=O)N[Sn](CC)(CC)CC
InChIInChI=1S/C8H16N2O2.3C2H5.Sn/c1-2-3-6-10-8(12)5-4-7(9)11;3*1-2;/h2-6H2,1H3,(H3,9,10,11,12);3*1H2,2H3;/q;;;;+1/p-1
InChIKeyHYUJQPOUZMUEOI-UHFFFAOYSA-M
XLogP2.80
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.12
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N'-triethylstannylbutanediamide?
The IUPAC name of N-butyl-N'-triethylstannylbutanediamide (CID 12550555) is N-butyl-N'-triethylstannylbutanediamide.
What is the SMILES notation for N-butyl-N'-triethylstannylbutanediamide?
The canonical SMILES for N-butyl-N'-triethylstannylbutanediamide is CCCCNC(=O)CCC(=O)N[Sn](CC)(CC)CC.
What is the InChIKey of N-butyl-N'-triethylstannylbutanediamide?
The InChIKey is HYUJQPOUZMUEOI-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H16N2O2.3C2H5.Sn/c1-2-3-6-10-8(12)5-4-7(9)11;3*1-2;/h2-6H2,1H3,(H3,9,10,11,12);3*1H2,2H3;/q;;;;+1/p-1.
What are the key properties of N-butyl-N'-triethylstannylbutanediamide?
N-butyl-N'-triethylstannylbutanediamide has a molecular weight of 377.12 g/mol, XLogP of 2.80, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N'-triethylstannylbutanediamide is sourced from PubChem (CID 12550555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).