N-(3-phenylprop-2-enyl)-N'-(1,1,2-trimethoxy-2-propylsilinan-3-yl)ethane-1,2-diamine

C22H38N2O3Si — CID 174750677

IUPACN-(3-phenylprop-2-enyl)-N'-(1,1,2-trimethoxy-2-propylsilinan-3-yl)ethane-1,2-diamine
SMILESCCCC1(OC)C(NCCNCC=Cc2ccccc2)CCC[Si]1(OC)OC
InChIInChI=1S/C22H38N2O3Si/c1-5-15-22(25-2)21(14-10-19-28(22,26-3)27-4)24-18-17-23-16-9-13-20-11-7-6-8-12-20/h6-9,11-13,21,23-24H,5,10,14-19H2,1-4H3
InChIKeyXAEOPMQMCLRUPO-UHFFFAOYSA-N
MW406.64 g/mol
LogP3.50
Rot. Bonds12

About N-(3-phenylprop-2-enyl)-N'-(1,1,2-trimethoxy-2-propylsilinan-3-yl)ethane-1,2-diamine

N-(3-phenylprop-2-enyl)-N'-(1,1,2-trimethoxy-2-propylsilinan-3-yl)ethane-1,2-diamine (PubChem CID 174750677) has the molecular formula C22H38N2O3Si and a molecular weight of 406.64 g/mol. Its IUPAC name is N-(3-phenylprop-2-enyl)-N'-(1,1,2-trimethoxy-2-propylsilinan-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(3-phenylprop-2-enyl)-N'-(1,1,2-trimethoxy-2-propylsilinan-3-yl)ethane-1,2-diamine
PubChem CID174750677
Molecular FormulaC22H38N2O3Si
Molecular Weight406.64 g/mol
Exact Mass406.27
IUPAC NameN-(3-phenylprop-2-enyl)-N'-(1,1,2-trimethoxy-2-propylsilinan-3-yl)ethane-1,2-diamine
SMILESCCCC1(OC)C(NCCNCC=Cc2ccccc2)CCC[Si]1(OC)OC
InChIInChI=1S/C22H38N2O3Si/c1-5-15-22(25-2)21(14-10-19-28(22,26-3)27-4)24-18-17-23-16-9-13-20-11-7-6-8-12-20/h6-9,11-13,21,23-24H,5,10,14-19H2,1-4H3
InChIKeyXAEOPMQMCLRUPO-UHFFFAOYSA-N
XLogP3.50
TPSA51.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.64
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-phenylprop-2-enyl)-N'-(1,1,2-trimethoxy-2-propylsilinan-3-yl)ethane-1,2-diamine?
The IUPAC name of N-(3-phenylprop-2-enyl)-N'-(1,1,2-trimethoxy-2-propylsilinan-3-yl)ethane-1,2-diamine (CID 174750677) is N-(3-phenylprop-2-enyl)-N'-(1,1,2-trimethoxy-2-propylsilinan-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(3-phenylprop-2-enyl)-N'-(1,1,2-trimethoxy-2-propylsilinan-3-yl)ethane-1,2-diamine?
The canonical SMILES for N-(3-phenylprop-2-enyl)-N'-(1,1,2-trimethoxy-2-propylsilinan-3-yl)ethane-1,2-diamine is CCCC1(OC)C(NCCNCC=Cc2ccccc2)CCC[Si]1(OC)OC.
What is the InChIKey of N-(3-phenylprop-2-enyl)-N'-(1,1,2-trimethoxy-2-propylsilinan-3-yl)ethane-1,2-diamine?
The InChIKey is XAEOPMQMCLRUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38N2O3Si/c1-5-15-22(25-2)21(14-10-19-28(22,26-3)27-4)24-18-17-23-16-9-13-20-11-7-6-8-12-20/h6-9,11-13,21,23-24H,5,10,14-19H2,1-4H3.
What are the key properties of N-(3-phenylprop-2-enyl)-N'-(1,1,2-trimethoxy-2-propylsilinan-3-yl)ethane-1,2-diamine?
N-(3-phenylprop-2-enyl)-N'-(1,1,2-trimethoxy-2-propylsilinan-3-yl)ethane-1,2-diamine has a molecular weight of 406.64 g/mol, XLogP of 3.50, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylprop-2-enyl)-N'-(1,1,2-trimethoxy-2-propylsilinan-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 174750677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).