33-trimethoxysilyltritriacontan-1-amine

C36H77NO3Si — CID 87686996

IUPAC33-trimethoxysilyltritriacontan-1-amine
SMILESCO[Si](CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCN)(OC)OC
InChIInChI=1S/C36H77NO3Si/c1-38-41(39-2,40-3)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37/h4-37H2,1-3H3
InChIKeyJEIPYYMMUVFHJK-UHFFFAOYSA-N
MW600.10 g/mol
LogP11.92
Rot. Bonds36

About 33-trimethoxysilyltritriacontan-1-amine

33-trimethoxysilyltritriacontan-1-amine (PubChem CID 87686996) has the molecular formula C36H77NO3Si and a molecular weight of 600.10 g/mol. Its IUPAC name is 33-trimethoxysilyltritriacontan-1-amine.

Molecular Properties

Compound Name33-trimethoxysilyltritriacontan-1-amine
PubChem CID87686996
Molecular FormulaC36H77NO3Si
Molecular Weight600.10 g/mol
Exact Mass599.57
IUPAC Name33-trimethoxysilyltritriacontan-1-amine
SMILESCO[Si](CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCN)(OC)OC
InChIInChI=1S/C36H77NO3Si/c1-38-41(39-2,40-3)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37/h4-37H2,1-3H3
InChIKeyJEIPYYMMUVFHJK-UHFFFAOYSA-N
XLogP11.92
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds36
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.10
LogP ≤ 511.92
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'}

Analyze 33-trimethoxysilyltritriacontan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

36-trimethoxysilylhexatriacontan-1-amine
CID 87680936
trimethoxy(6-trimethoxysilylhexyl)silane
CID 158013726
bis(oxygen(2-));titanium(4+);3-trimethoxysilylpropan-1-amine
CID 161482517
N'-(3-trimethoxysilylpropyl)hexane-1,6-diamine
CID 157123454
N'-(6-trimethoxysilylhexyl)propane-1,3-diamine
CID 54277347
methanol;3-trimethoxysilylpropan-1-amine;hydrochloride
CID 174963553
ethane;methanol;bis(3-trimethoxysilylpropan-1-amine)
CID 158708863
cyclobutane;3-trimethoxysilylpropan-1-amine
CID 175187694
11-[ethyl(dimethoxy)silyl]undecan-1-amine
CID 88501782
N'-(8-trimethoxysilyloctyl)ethane-1,2-diamine
CID 132554515
hexane;bis(hexyl(trimethoxy)silane)
CID 175053771
trimethoxy(pentacontyl)silane
CID 87930715

Frequently Asked Questions

What is the IUPAC name of 33-trimethoxysilyltritriacontan-1-amine?
The IUPAC name of 33-trimethoxysilyltritriacontan-1-amine (CID 87686996) is 33-trimethoxysilyltritriacontan-1-amine.
What is the SMILES notation for 33-trimethoxysilyltritriacontan-1-amine?
The canonical SMILES for 33-trimethoxysilyltritriacontan-1-amine is CO[Si](CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCN)(OC)OC.
What is the InChIKey of 33-trimethoxysilyltritriacontan-1-amine?
The InChIKey is JEIPYYMMUVFHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H77NO3Si/c1-38-41(39-2,40-3)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37/h4-37H2,1-3H3.
What are the key properties of 33-trimethoxysilyltritriacontan-1-amine?
33-trimethoxysilyltritriacontan-1-amine has a molecular weight of 600.10 g/mol, XLogP of 11.92, 36 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 33-trimethoxysilyltritriacontan-1-amine is sourced from PubChem (CID 87686996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).