4-(3-aminopropyl-methoxy-methylsilyl)oxy-N,N-dimethylbutan-1-amine

C11H28N2O2Si — CID 175939374

IUPAC4-(3-aminopropyl-methoxy-methylsilyl)oxy-N,N-dimethylbutan-1-amine
SMILESCO[Si](C)(CCCN)OCCCCN(C)C
InChIInChI=1S/C11H28N2O2Si/c1-13(2)9-5-6-10-15-16(4,14-3)11-7-8-12/h5-12H2,1-4H3
InChIKeySTEXMXVLWBMETP-UHFFFAOYSA-N
MW248.44 g/mol
LogP1.41
Rot. Bonds10

About 4-(3-aminopropyl-methoxy-methylsilyl)oxy-N,N-dimethylbutan-1-amine

4-(3-aminopropyl-methoxy-methylsilyl)oxy-N,N-dimethylbutan-1-amine (PubChem CID 175939374) has the molecular formula C11H28N2O2Si and a molecular weight of 248.44 g/mol. Its IUPAC name is 4-(3-aminopropyl-methoxy-methylsilyl)oxy-N,N-dimethylbutan-1-amine.

Molecular Properties

Compound Name4-(3-aminopropyl-methoxy-methylsilyl)oxy-N,N-dimethylbutan-1-amine
PubChem CID175939374
Molecular FormulaC11H28N2O2Si
Molecular Weight248.44 g/mol
Exact Mass248.19
IUPAC Name4-(3-aminopropyl-methoxy-methylsilyl)oxy-N,N-dimethylbutan-1-amine
SMILESCO[Si](C)(CCCN)OCCCCN(C)C
InChIInChI=1S/C11H28N2O2Si/c1-13(2)9-5-6-10-15-16(4,14-3)11-7-8-12/h5-12H2,1-4H3
InChIKeySTEXMXVLWBMETP-UHFFFAOYSA-N
XLogP1.41
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.44
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopropyl-methoxy-methylsilyl)oxy-N,N-dimethylbutan-1-amine?
The IUPAC name of 4-(3-aminopropyl-methoxy-methylsilyl)oxy-N,N-dimethylbutan-1-amine (CID 175939374) is 4-(3-aminopropyl-methoxy-methylsilyl)oxy-N,N-dimethylbutan-1-amine.
What is the SMILES notation for 4-(3-aminopropyl-methoxy-methylsilyl)oxy-N,N-dimethylbutan-1-amine?
The canonical SMILES for 4-(3-aminopropyl-methoxy-methylsilyl)oxy-N,N-dimethylbutan-1-amine is CO[Si](C)(CCCN)OCCCCN(C)C.
What is the InChIKey of 4-(3-aminopropyl-methoxy-methylsilyl)oxy-N,N-dimethylbutan-1-amine?
The InChIKey is STEXMXVLWBMETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H28N2O2Si/c1-13(2)9-5-6-10-15-16(4,14-3)11-7-8-12/h5-12H2,1-4H3.
What are the key properties of 4-(3-aminopropyl-methoxy-methylsilyl)oxy-N,N-dimethylbutan-1-amine?
4-(3-aminopropyl-methoxy-methylsilyl)oxy-N,N-dimethylbutan-1-amine has a molecular weight of 248.44 g/mol, XLogP of 1.41, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopropyl-methoxy-methylsilyl)oxy-N,N-dimethylbutan-1-amine is sourced from PubChem (CID 175939374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).