3-[[3-(dimethylamino)propyl-hydroxy-methylsilyl]oxy-hydroxy-methylsilyl]-N,N-dimethylpropan-1-amine

C12H32N2O3Si2 — CID 89027214

IUPAC3-[[3-(dimethylamino)propyl-hydroxy-methylsilyl]oxy-hydroxy-methylsilyl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCC[Si](C)(O)O[Si](C)(O)CCCN(C)C
InChIInChI=1S/C12H32N2O3Si2/c1-13(2)9-7-11-18(5,15)17-19(6,16)12-8-10-14(3)4/h15-16H,7-12H2,1-6H3
InChIKeyCCCRBMVZGKAMLF-UHFFFAOYSA-N
MW308.57 g/mol
LogP1.03
Rot. Bonds10

About 3-[[3-(dimethylamino)propyl-hydroxy-methylsilyl]oxy-hydroxy-methylsilyl]-N,N-dimethylpropan-1-amine

3-[[3-(dimethylamino)propyl-hydroxy-methylsilyl]oxy-hydroxy-methylsilyl]-N,N-dimethylpropan-1-amine (PubChem CID 89027214) has the molecular formula C12H32N2O3Si2 and a molecular weight of 308.57 g/mol. Its IUPAC name is 3-[[3-(dimethylamino)propyl-hydroxy-methylsilyl]oxy-hydroxy-methylsilyl]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[[3-(dimethylamino)propyl-hydroxy-methylsilyl]oxy-hydroxy-methylsilyl]-N,N-dimethylpropan-1-amine
PubChem CID89027214
Molecular FormulaC12H32N2O3Si2
Molecular Weight308.57 g/mol
Exact Mass308.20
IUPAC Name3-[[3-(dimethylamino)propyl-hydroxy-methylsilyl]oxy-hydroxy-methylsilyl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCC[Si](C)(O)O[Si](C)(O)CCCN(C)C
InChIInChI=1S/C12H32N2O3Si2/c1-13(2)9-7-11-18(5,15)17-19(6,16)12-8-10-14(3)4/h15-16H,7-12H2,1-6H3
InChIKeyCCCRBMVZGKAMLF-UHFFFAOYSA-N
XLogP1.03
TPSA56.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.57
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 3-[[3-(dimethylamino)propyl-hydroxy-methylsilyl]oxy-hydroxy-methylsilyl]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[[3-(dimethylamino)propyl-hydroxy-methylsilyl]oxy-hydroxy-methylsilyl]-N,N-dimethylpropan-1-amine (CID 89027214) is 3-[[3-(dimethylamino)propyl-hydroxy-methylsilyl]oxy-hydroxy-methylsilyl]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[[3-(dimethylamino)propyl-hydroxy-methylsilyl]oxy-hydroxy-methylsilyl]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[[3-(dimethylamino)propyl-hydroxy-methylsilyl]oxy-hydroxy-methylsilyl]-N,N-dimethylpropan-1-amine is CN(C)CCC[Si](C)(O)O[Si](C)(O)CCCN(C)C.
What is the InChIKey of 3-[[3-(dimethylamino)propyl-hydroxy-methylsilyl]oxy-hydroxy-methylsilyl]-N,N-dimethylpropan-1-amine?
The InChIKey is CCCRBMVZGKAMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H32N2O3Si2/c1-13(2)9-7-11-18(5,15)17-19(6,16)12-8-10-14(3)4/h15-16H,7-12H2,1-6H3.
What are the key properties of 3-[[3-(dimethylamino)propyl-hydroxy-methylsilyl]oxy-hydroxy-methylsilyl]-N,N-dimethylpropan-1-amine?
3-[[3-(dimethylamino)propyl-hydroxy-methylsilyl]oxy-hydroxy-methylsilyl]-N,N-dimethylpropan-1-amine has a molecular weight of 308.57 g/mol, XLogP of 1.03, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(dimethylamino)propyl-hydroxy-methylsilyl]oxy-hydroxy-methylsilyl]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 89027214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).