3-trimethylstannyl-N-[(3-trimethylstannylpropanoylamino)methyl]propanamide

C13H30N2O2Sn2 — CID 12901412

IUPAC3-trimethylstannyl-N-[(3-trimethylstannylpropanoylamino)methyl]propanamide
SMILESC[Sn](C)(C)CCC(=O)NCNC(=O)CC[Sn](C)(C)C
InChIInChI=1S/C7H12N2O2.6CH3.2Sn/c1-3-6(10)8-5-9-7(11)4-2;;;;;;;;/h1-5H2,(H,8,10)(H,9,11);6*1H3;;
InChIKeyKGBKXPHTGXXMBB-UHFFFAOYSA-N
MW483.82 g/mol
LogP2.63
Rot. Bonds8

About 3-trimethylstannyl-N-[(3-trimethylstannylpropanoylamino)methyl]propanamide

3-trimethylstannyl-N-[(3-trimethylstannylpropanoylamino)methyl]propanamide (PubChem CID 12901412) has the molecular formula C13H30N2O2Sn2 and a molecular weight of 483.82 g/mol. Its IUPAC name is 3-trimethylstannyl-N-[(3-trimethylstannylpropanoylamino)methyl]propanamide.

Molecular Properties

Compound Name3-trimethylstannyl-N-[(3-trimethylstannylpropanoylamino)methyl]propanamide
PubChem CID12901412
Molecular FormulaC13H30N2O2Sn2
Molecular Weight483.82 g/mol
Exact Mass486.04
IUPAC Name3-trimethylstannyl-N-[(3-trimethylstannylpropanoylamino)methyl]propanamide
SMILESC[Sn](C)(C)CCC(=O)NCNC(=O)CC[Sn](C)(C)C
InChIInChI=1S/C7H12N2O2.6CH3.2Sn/c1-3-6(10)8-5-9-7(11)4-2;;;;;;;;/h1-5H2,(H,8,10)(H,9,11);6*1H3;;
InChIKeyKGBKXPHTGXXMBB-UHFFFAOYSA-N
XLogP2.63
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.82
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-trimethylstannyl-N-[(3-trimethylstannylpropanoylamino)methyl]propanamide?
The IUPAC name of 3-trimethylstannyl-N-[(3-trimethylstannylpropanoylamino)methyl]propanamide (CID 12901412) is 3-trimethylstannyl-N-[(3-trimethylstannylpropanoylamino)methyl]propanamide.
What is the SMILES notation for 3-trimethylstannyl-N-[(3-trimethylstannylpropanoylamino)methyl]propanamide?
The canonical SMILES for 3-trimethylstannyl-N-[(3-trimethylstannylpropanoylamino)methyl]propanamide is C[Sn](C)(C)CCC(=O)NCNC(=O)CC[Sn](C)(C)C.
What is the InChIKey of 3-trimethylstannyl-N-[(3-trimethylstannylpropanoylamino)methyl]propanamide?
The InChIKey is KGBKXPHTGXXMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2.6CH3.2Sn/c1-3-6(10)8-5-9-7(11)4-2;;;;;;;;/h1-5H2,(H,8,10)(H,9,11);6*1H3;;.
What are the key properties of 3-trimethylstannyl-N-[(3-trimethylstannylpropanoylamino)methyl]propanamide?
3-trimethylstannyl-N-[(3-trimethylstannylpropanoylamino)methyl]propanamide has a molecular weight of 483.82 g/mol, XLogP of 2.63, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-trimethylstannyl-N-[(3-trimethylstannylpropanoylamino)methyl]propanamide is sourced from PubChem (CID 12901412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).