40-dichlorosilyltetracontan-1-amine

C40H83Cl2NSi — CID 173136233

IUPAC40-dichlorosilyltetracontan-1-amine
SMILESNCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC[SiH](Cl)Cl
InChIInChI=1S/C40H83Cl2NSi/c41-44(42)40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-43/h44H,1-40,43H2
InChIKeyCEEBMPPDMUTVTM-UHFFFAOYSA-N
MW677.10 g/mol
LogP15.47
Rot. Bonds40

About 40-dichlorosilyltetracontan-1-amine

40-dichlorosilyltetracontan-1-amine (PubChem CID 173136233) has the molecular formula C40H83Cl2NSi and a molecular weight of 677.10 g/mol. Its IUPAC name is 40-dichlorosilyltetracontan-1-amine.

Molecular Properties

Compound Name40-dichlorosilyltetracontan-1-amine
PubChem CID173136233
Molecular FormulaC40H83Cl2NSi
Molecular Weight677.10 g/mol
Exact Mass675.57
IUPAC Name40-dichlorosilyltetracontan-1-amine
SMILESNCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC[SiH](Cl)Cl
InChIInChI=1S/C40H83Cl2NSi/c41-44(42)40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-43/h44H,1-40,43H2
InChIKeyCEEBMPPDMUTVTM-UHFFFAOYSA-N
XLogP15.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds40
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.10
LogP ≤ 515.47
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'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Related Compounds

14-dichlorosilyltetradecan-1-amine
CID 173136052
3-dichlorosilylpropan-1-amine
CID 154152160
dichloro(28-chlorooctacosyl)silane
CID 173136314
icosane-1,20-diamine;nonadecane-1,19-diamine
CID 155315822
octatriacontane-1,38-diamine
CID 54235792
decane-1,10-diamine;nonane-1,9-diamine
CID 18179225
azane;dichloroplatinum;pentane-1,5-diamine
CID 20842404
33-dichlorosilyltritriacontane-1-thiol
CID 173135896
39-dichlorosilylnonatriacontane-1-thiol
CID 173135912
7-dichlorosilylheptane-1-thiol
CID 173136337
40-bromotetracontyl(dichloro)silane
CID 173135561
dichloro(15-iodopentadecyl)silane
CID 173136162

Frequently Asked Questions

What is the IUPAC name of 40-dichlorosilyltetracontan-1-amine?
The IUPAC name of 40-dichlorosilyltetracontan-1-amine (CID 173136233) is 40-dichlorosilyltetracontan-1-amine.
What is the SMILES notation for 40-dichlorosilyltetracontan-1-amine?
The canonical SMILES for 40-dichlorosilyltetracontan-1-amine is NCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC[SiH](Cl)Cl.
What is the InChIKey of 40-dichlorosilyltetracontan-1-amine?
The InChIKey is CEEBMPPDMUTVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H83Cl2NSi/c41-44(42)40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-43/h44H,1-40,43H2.
What are the key properties of 40-dichlorosilyltetracontan-1-amine?
40-dichlorosilyltetracontan-1-amine has a molecular weight of 677.10 g/mol, XLogP of 15.47, 40 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 40-dichlorosilyltetracontan-1-amine is sourced from PubChem (CID 173136233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).