N-(3-trihydroxysilylpropyl)butan-1-amine

C7H19NO3Si — CID 87400423

IUPACN-(3-trihydroxysilylpropyl)butan-1-amine
SMILESCCCCNCCC[Si](O)(O)O
InChIInChI=1S/C7H19NO3Si/c1-2-3-5-8-6-4-7-12(9,10)11/h8-11H,2-7H2,1H3
InChIKeyRBJFDFYYPLMZQH-UHFFFAOYSA-N
MW193.32 g/mol
LogP-0.32
Rot. Bonds7

About N-(3-trihydroxysilylpropyl)butan-1-amine

N-(3-trihydroxysilylpropyl)butan-1-amine (PubChem CID 87400423) has the molecular formula C7H19NO3Si and a molecular weight of 193.32 g/mol. Its IUPAC name is N-(3-trihydroxysilylpropyl)butan-1-amine.

Molecular Properties

Compound NameN-(3-trihydroxysilylpropyl)butan-1-amine
PubChem CID87400423
Molecular FormulaC7H19NO3Si
Molecular Weight193.32 g/mol
Exact Mass193.11
IUPAC NameN-(3-trihydroxysilylpropyl)butan-1-amine
SMILESCCCCNCCC[Si](O)(O)O
InChIInChI=1S/C7H19NO3Si/c1-2-3-5-8-6-4-7-12(9,10)11/h8-11H,2-7H2,1H3
InChIKeyRBJFDFYYPLMZQH-UHFFFAOYSA-N
XLogP-0.32
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.32
LogP ≤ 5-0.32
H-Bond Donors ≤ 54
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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Related Compounds

N-(2-trihydroxysilylethyl)octan-1-amine
CID 87683408
N-butylbutan-1-amine;hydrochloride
CID 3083954
N-butylbutan-1-amine;propan-1-ol
CID 174657089
potassium;N-butylbutan-1-amine;hydride
CID 174461538
N-butylbutan-1-amine;hydroxy(methyl)silane
CID 173448085
N-[[hydroxy(dimethyl)silyl]methyl]butan-1-amine
CID 23126648
acetic acid;N',N'-diethyl-N-(3-trihydroxysilylpropyl)ethane-1,2-diamine;palladium
CID 139211644
N-butyltetradecan-1-amine
CID 3548872
N'-butyl-N-propylethane-1,2-diamine
CID 54806979
N-[3-[diethoxy(methyl)silyl]propyl]butan-1-amine
CID 22679052
N-methyl-3-trihydroxysilylpropan-1-amine;octadecan-1-amine;N'-octadecyl-N-propylmethanediamine;dihydrochloride
CID 175035811
N'-[3-[3-(butylamino)propylamino]propyl]-N-ethylpropane-1,3-diamine
CID 58965168

Frequently Asked Questions

What is the IUPAC name of N-(3-trihydroxysilylpropyl)butan-1-amine?
The IUPAC name of N-(3-trihydroxysilylpropyl)butan-1-amine (CID 87400423) is N-(3-trihydroxysilylpropyl)butan-1-amine.
What is the SMILES notation for N-(3-trihydroxysilylpropyl)butan-1-amine?
The canonical SMILES for N-(3-trihydroxysilylpropyl)butan-1-amine is CCCCNCCC[Si](O)(O)O.
What is the InChIKey of N-(3-trihydroxysilylpropyl)butan-1-amine?
The InChIKey is RBJFDFYYPLMZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H19NO3Si/c1-2-3-5-8-6-4-7-12(9,10)11/h8-11H,2-7H2,1H3.
What are the key properties of N-(3-trihydroxysilylpropyl)butan-1-amine?
N-(3-trihydroxysilylpropyl)butan-1-amine has a molecular weight of 193.32 g/mol, XLogP of -0.32, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-trihydroxysilylpropyl)butan-1-amine is sourced from PubChem (CID 87400423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).