N-(3-trimethoxysilylpropyl)hexan-1-imine

C12H27NO3Si — CID 87448623

IUPACN-(3-trimethoxysilylpropyl)hexan-1-imine
SMILESCCCCC/C=N/CCC[Si](OC)(OC)OC
InChIInChI=1S/C12H27NO3Si/c1-5-6-7-8-10-13-11-9-12-17(14-2,15-3)16-4/h10H,5-9,11-12H2,1-4H3/b13-10+
InChIKeyPPZMSAYHUCDXKS-JLHYYAGUSA-N
MW261.44 g/mol
LogP2.91
Rot. Bonds11

About N-(3-trimethoxysilylpropyl)hexan-1-imine

N-(3-trimethoxysilylpropyl)hexan-1-imine (PubChem CID 87448623) has the molecular formula C12H27NO3Si and a molecular weight of 261.44 g/mol. Its IUPAC name is N-(3-trimethoxysilylpropyl)hexan-1-imine.

Molecular Properties

Compound NameN-(3-trimethoxysilylpropyl)hexan-1-imine
PubChem CID87448623
Molecular FormulaC12H27NO3Si
Molecular Weight261.44 g/mol
Exact Mass261.18
IUPAC NameN-(3-trimethoxysilylpropyl)hexan-1-imine
SMILESCCCCC/C=N/CCC[Si](OC)(OC)OC
InChIInChI=1S/C12H27NO3Si/c1-5-6-7-8-10-13-11-9-12-17(14-2,15-3)16-4/h10H,5-9,11-12H2,1-4H3/b13-10+
InChIKeyPPZMSAYHUCDXKS-JLHYYAGUSA-N
XLogP2.91
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.44
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-pentacosylhexacosan-1-imine
CID 21412184
N-hexacosylheptacosan-1-imine
CID 88829034
N-hexyldecan-1-imine
CID 174719675
N-tetradecyltridecan-1-imine
CID 175147598
N,N'-didecylpentane-1,5-diimine
CID 118371796
hexane;bis(hexyl(trimethoxy)silane)
CID 175053771
azane;trimethoxy(pentyl)silane
CID 19608931
trimethoxy(pentacontyl)silane
CID 87930715
hexacosyl(trimethoxy)silane
CID 150262252
dodecyl(trimethoxy)silane;octane
CID 174570785
decyl(trimethoxy)silane;hexyl(trimethoxy)silane
CID 22665206
2-(hexylideneamino)ethanol
CID 130130159

Frequently Asked Questions

What is the IUPAC name of N-(3-trimethoxysilylpropyl)hexan-1-imine?
The IUPAC name of N-(3-trimethoxysilylpropyl)hexan-1-imine (CID 87448623) is N-(3-trimethoxysilylpropyl)hexan-1-imine.
What is the SMILES notation for N-(3-trimethoxysilylpropyl)hexan-1-imine?
The canonical SMILES for N-(3-trimethoxysilylpropyl)hexan-1-imine is CCCCC/C=N/CCC[Si](OC)(OC)OC.
What is the InChIKey of N-(3-trimethoxysilylpropyl)hexan-1-imine?
The InChIKey is PPZMSAYHUCDXKS-JLHYYAGUSA-N. The full InChI is InChI=1S/C12H27NO3Si/c1-5-6-7-8-10-13-11-9-12-17(14-2,15-3)16-4/h10H,5-9,11-12H2,1-4H3/b13-10+.
What are the key properties of N-(3-trimethoxysilylpropyl)hexan-1-imine?
N-(3-trimethoxysilylpropyl)hexan-1-imine has a molecular weight of 261.44 g/mol, XLogP of 2.91, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-trimethoxysilylpropyl)hexan-1-imine is sourced from PubChem (CID 87448623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).