N'-[3-[fluoro(propan-2-yl)silyl]propyl]-N-methylpentanediamide

C12H25FN2O2Si — CID 173492839

IUPACN'-[3-[fluoro(propan-2-yl)silyl]propyl]-N-methylpentanediamide
SMILESCNC(=O)CCCC(=O)NCCC[SiH](F)C(C)C
InChIInChI=1S/C12H25FN2O2Si/c1-10(2)18(13)9-5-8-15-12(17)7-4-6-11(16)14-3/h10,18H,4-9H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyBPWZPJPHRKFLCL-UHFFFAOYSA-N
MW276.43 g/mol
LogP1.51
Rot. Bonds9

About N'-[3-[fluoro(propan-2-yl)silyl]propyl]-N-methylpentanediamide

N'-[3-[fluoro(propan-2-yl)silyl]propyl]-N-methylpentanediamide (PubChem CID 173492839) has the molecular formula C12H25FN2O2Si and a molecular weight of 276.43 g/mol. Its IUPAC name is N'-[3-[fluoro(propan-2-yl)silyl]propyl]-N-methylpentanediamide.

Molecular Properties

Compound NameN'-[3-[fluoro(propan-2-yl)silyl]propyl]-N-methylpentanediamide
PubChem CID173492839
Molecular FormulaC12H25FN2O2Si
Molecular Weight276.43 g/mol
Exact Mass276.17
IUPAC NameN'-[3-[fluoro(propan-2-yl)silyl]propyl]-N-methylpentanediamide
SMILESCNC(=O)CCCC(=O)NCCC[SiH](F)C(C)C
InChIInChI=1S/C12H25FN2O2Si/c1-10(2)18(13)9-5-8-15-12(17)7-4-6-11(16)14-3/h10,18H,4-9H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyBPWZPJPHRKFLCL-UHFFFAOYSA-N
XLogP1.51
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-[3-[fluoro(propan-2-yl)silyl]propyl]-N-methylpentanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-[3-[fluoro(propan-2-yl)silyl]propyl]-N-methylpentanediamide?
The IUPAC name of N'-[3-[fluoro(propan-2-yl)silyl]propyl]-N-methylpentanediamide (CID 173492839) is N'-[3-[fluoro(propan-2-yl)silyl]propyl]-N-methylpentanediamide.
What is the SMILES notation for N'-[3-[fluoro(propan-2-yl)silyl]propyl]-N-methylpentanediamide?
The canonical SMILES for N'-[3-[fluoro(propan-2-yl)silyl]propyl]-N-methylpentanediamide is CNC(=O)CCCC(=O)NCCC[SiH](F)C(C)C.
What is the InChIKey of N'-[3-[fluoro(propan-2-yl)silyl]propyl]-N-methylpentanediamide?
The InChIKey is BPWZPJPHRKFLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25FN2O2Si/c1-10(2)18(13)9-5-8-15-12(17)7-4-6-11(16)14-3/h10,18H,4-9H2,1-3H3,(H,14,16)(H,15,17).
What are the key properties of N'-[3-[fluoro(propan-2-yl)silyl]propyl]-N-methylpentanediamide?
N'-[3-[fluoro(propan-2-yl)silyl]propyl]-N-methylpentanediamide has a molecular weight of 276.43 g/mol, XLogP of 1.51, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[fluoro(propan-2-yl)silyl]propyl]-N-methylpentanediamide is sourced from PubChem (CID 173492839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).