6-tripentoxysilylhexan-1-amine

C21H47NO3Si — CID 152508476

IUPAC6-tripentoxysilylhexan-1-amine
SMILESCCCCCO[Si](CCCCCCN)(OCCCCC)OCCCCC
InChIInChI=1S/C21H47NO3Si/c1-4-7-13-18-23-26(24-19-14-8-5-2,25-20-15-9-6-3)21-16-11-10-12-17-22/h4-22H2,1-3H3
InChIKeyYEZAXDLAEXSXNA-UHFFFAOYSA-N
MW389.70 g/mol
LogP6.06
Rot. Bonds21

About 6-tripentoxysilylhexan-1-amine

6-tripentoxysilylhexan-1-amine (PubChem CID 152508476) has the molecular formula C21H47NO3Si and a molecular weight of 389.70 g/mol. Its IUPAC name is 6-tripentoxysilylhexan-1-amine.

Molecular Properties

Compound Name6-tripentoxysilylhexan-1-amine
PubChem CID152508476
Molecular FormulaC21H47NO3Si
Molecular Weight389.70 g/mol
Exact Mass389.33
IUPAC Name6-tripentoxysilylhexan-1-amine
SMILESCCCCCO[Si](CCCCCCN)(OCCCCC)OCCCCC
InChIInChI=1S/C21H47NO3Si/c1-4-7-13-18-23-26(24-19-14-8-5-2,25-20-15-9-6-3)21-16-11-10-12-17-22/h4-22H2,1-3H3
InChIKeyYEZAXDLAEXSXNA-UHFFFAOYSA-N
XLogP6.06
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds21
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.70
LogP ≤ 56.06
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
4-tripropoxysilylbutan-1-amine
CID 15986561
3-[dimethoxy(undecyl)silyl]oxypropan-1-amine
CID 156751574
hexadecyl(tripropoxy)silane
CID 22228651
icosyl(tripropoxy)silane
CID 141079291
sulfane;bis(trioctoxy(propyl)silane)
CID 23217623
3-trihexoxysilylpropane-1-thiol
CID 88832868
36-triethoxysilylhexatriacontan-1-amine
CID 87683625
trihexoxy(3-propoxypropyl)silane
CID 90222571
12-triethoxysilyldodecan-1-amine;hydrochloride
CID 175579282
4-nonoxybutan-1-amine
CID 139664551
triethoxy(henicosyl)silane
CID 141362894

Frequently Asked Questions

What is the IUPAC name of 6-tripentoxysilylhexan-1-amine?
The IUPAC name of 6-tripentoxysilylhexan-1-amine (CID 152508476) is 6-tripentoxysilylhexan-1-amine.
What is the SMILES notation for 6-tripentoxysilylhexan-1-amine?
The canonical SMILES for 6-tripentoxysilylhexan-1-amine is CCCCCO[Si](CCCCCCN)(OCCCCC)OCCCCC.
What is the InChIKey of 6-tripentoxysilylhexan-1-amine?
The InChIKey is YEZAXDLAEXSXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H47NO3Si/c1-4-7-13-18-23-26(24-19-14-8-5-2,25-20-15-9-6-3)21-16-11-10-12-17-22/h4-22H2,1-3H3.
What are the key properties of 6-tripentoxysilylhexan-1-amine?
6-tripentoxysilylhexan-1-amine has a molecular weight of 389.70 g/mol, XLogP of 6.06, 21 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tripentoxysilylhexan-1-amine is sourced from PubChem (CID 152508476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).