3-[tris(6-methylheptoxy)silyl]propan-1-amine

C27H59NO3Si — CID 141182036

IUPAC3-[tris(6-methylheptoxy)silyl]propan-1-amine
SMILESCC(C)CCCCCO[Si](CCCN)(OCCCCCC(C)C)OCCCCCC(C)C
InChIInChI=1S/C27H59NO3Si/c1-25(2)17-10-7-13-21-29-32(24-16-20-28,30-22-14-8-11-18-26(3)4)31-23-15-9-12-19-27(5)6/h25-27H,7-24,28H2,1-6H3
InChIKeyWTFUJEVKEXGTOQ-UHFFFAOYSA-N
MW473.86 g/mol
LogP7.97
Rot. Bonds24

About 3-[tris(6-methylheptoxy)silyl]propan-1-amine

3-[tris(6-methylheptoxy)silyl]propan-1-amine (PubChem CID 141182036) has the molecular formula C27H59NO3Si and a molecular weight of 473.86 g/mol. Its IUPAC name is 3-[tris(6-methylheptoxy)silyl]propan-1-amine.

Molecular Properties

Compound Name3-[tris(6-methylheptoxy)silyl]propan-1-amine
PubChem CID141182036
Molecular FormulaC27H59NO3Si
Molecular Weight473.86 g/mol
Exact Mass473.43
IUPAC Name3-[tris(6-methylheptoxy)silyl]propan-1-amine
SMILESCC(C)CCCCCO[Si](CCCN)(OCCCCCC(C)C)OCCCCCC(C)C
InChIInChI=1S/C27H59NO3Si/c1-25(2)17-10-7-13-21-29-32(24-16-20-28,30-22-14-8-11-18-26(3)4)31-23-15-9-12-19-27(5)6/h25-27H,7-24,28H2,1-6H3
InChIKeyWTFUJEVKEXGTOQ-UHFFFAOYSA-N
XLogP7.97
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds24
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.86
LogP ≤ 57.97
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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Related Compounds

3-trihexadecoxysilylpropan-1-amine
CID 87405617
36-methylheptatriacontan-1-amine
CID 134324173
6-tripentoxysilylhexan-1-amine
CID 152508476
18-methylnonadecan-1-amine;hydrochloride
CID 173047380
24-methyl-1-(24-methylpentacosoxy)pentacosane
CID 57087700
2,9-dimethyldecane;2,11-dimethyldodecane;2,8-dimethylnonane;2,7-dimethyloctane;2,10-dimethylundecane
CID 161261647
2,22-dimethyltricosane
CID 58100191
6-methyl-1-[2-(6-methylheptoxy)ethoxy]heptane
CID 150695983
benzene;5-methylhexan-1-amine
CID 174722076
3-[2-(4-methylpentoxy)ethoxy]propan-1-amine
CID 155228800
4-tripropoxysilylbutan-1-amine
CID 15986561
4-tridodecoxysilylbutane-2-thiol
CID 22227191

Frequently Asked Questions

What is the IUPAC name of 3-[tris(6-methylheptoxy)silyl]propan-1-amine?
The IUPAC name of 3-[tris(6-methylheptoxy)silyl]propan-1-amine (CID 141182036) is 3-[tris(6-methylheptoxy)silyl]propan-1-amine.
What is the SMILES notation for 3-[tris(6-methylheptoxy)silyl]propan-1-amine?
The canonical SMILES for 3-[tris(6-methylheptoxy)silyl]propan-1-amine is CC(C)CCCCCO[Si](CCCN)(OCCCCCC(C)C)OCCCCCC(C)C.
What is the InChIKey of 3-[tris(6-methylheptoxy)silyl]propan-1-amine?
The InChIKey is WTFUJEVKEXGTOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H59NO3Si/c1-25(2)17-10-7-13-21-29-32(24-16-20-28,30-22-14-8-11-18-26(3)4)31-23-15-9-12-19-27(5)6/h25-27H,7-24,28H2,1-6H3.
What are the key properties of 3-[tris(6-methylheptoxy)silyl]propan-1-amine?
3-[tris(6-methylheptoxy)silyl]propan-1-amine has a molecular weight of 473.86 g/mol, XLogP of 7.97, 24 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tris(6-methylheptoxy)silyl]propan-1-amine is sourced from PubChem (CID 141182036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).