1-trihexylsilylpropan-1-amine

C21H47NSi — CID 87134226

IUPAC1-trihexylsilylpropan-1-amine
SMILESCCCCCC[Si](CCCCCC)(CCCCCC)C(N)CC
InChIInChI=1S/C21H47NSi/c1-5-9-12-15-18-23(21(22)8-4,19-16-13-10-6-2)20-17-14-11-7-3/h21H,5-20,22H2,1-4H3
InChIKeySLWBRIAFULMSEE-UHFFFAOYSA-N
MW341.70 g/mol
LogP7.45
Rot. Bonds17

About 1-trihexylsilylpropan-1-amine

1-trihexylsilylpropan-1-amine (PubChem CID 87134226) has the molecular formula C21H47NSi and a molecular weight of 341.70 g/mol. Its IUPAC name is 1-trihexylsilylpropan-1-amine.

Molecular Properties

Compound Name1-trihexylsilylpropan-1-amine
PubChem CID87134226
Molecular FormulaC21H47NSi
Molecular Weight341.70 g/mol
Exact Mass341.35
IUPAC Name1-trihexylsilylpropan-1-amine
SMILESCCCCCC[Si](CCCCCC)(CCCCCC)C(N)CC
InChIInChI=1S/C21H47NSi/c1-5-9-12-15-18-23(21(22)8-4,19-16-13-10-6-2)20-17-14-11-7-3/h21H,5-20,22H2,1-4H3
InChIKeySLWBRIAFULMSEE-UHFFFAOYSA-N
XLogP7.45
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.70
LogP ≤ 57.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

CID 172851421
CID 172851421
CID 161216038
CID 161216038
tridecan-3-amine
CID 19435959
1-triethoxysilyldecan-1-amine
CID 87463354
hydrazine;pentadecane
CID 174880620
methanamine;tris(octane)
CID 173014836
heptadecane;hydrazine
CID 174880698
decane;methanamine
CID 159574300
methanamine;octane
CID 174301406
methanamine;nonane
CID 155694820
nonapentacontan-30-amine
CID 118952570
butyl-dihexyl-octylsilane
CID 168803297

Frequently Asked Questions

What is the IUPAC name of 1-trihexylsilylpropan-1-amine?
The IUPAC name of 1-trihexylsilylpropan-1-amine (CID 87134226) is 1-trihexylsilylpropan-1-amine.
What is the SMILES notation for 1-trihexylsilylpropan-1-amine?
The canonical SMILES for 1-trihexylsilylpropan-1-amine is CCCCCC[Si](CCCCCC)(CCCCCC)C(N)CC.
What is the InChIKey of 1-trihexylsilylpropan-1-amine?
The InChIKey is SLWBRIAFULMSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H47NSi/c1-5-9-12-15-18-23(21(22)8-4,19-16-13-10-6-2)20-17-14-11-7-3/h21H,5-20,22H2,1-4H3.
What are the key properties of 1-trihexylsilylpropan-1-amine?
1-trihexylsilylpropan-1-amine has a molecular weight of 341.70 g/mol, XLogP of 7.45, 17 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-trihexylsilylpropan-1-amine is sourced from PubChem (CID 87134226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).