N'-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N'-[(1S)-1-(2-methoxyphenyl)ethyl]ethane-1,2-diamine

C19H36N2O2Si — CID 66658313

IUPACN'-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N'-[(1S)-1-(2-methoxyphenyl)ethyl]ethane-1,2-diamine
SMILESCOc1ccccc1[C@H](C)N(CCN)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H36N2O2Si/c1-16(17-10-8-9-11-18(17)22-5)21(13-12-20)14-15-23-24(6,7)19(2,3)4/h8-11,16H,12-15,20H2,1-7H3/t16-/m0/s1
InChIKeyRMPDVTYOHKHPQM-INIZCTEOSA-N
MW352.60 g/mol
LogP4.04
Rot. Bonds9

About N'-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N'-[(1S)-1-(2-methoxyphenyl)ethyl]ethane-1,2-diamine

N'-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N'-[(1S)-1-(2-methoxyphenyl)ethyl]ethane-1,2-diamine (PubChem CID 66658313) has the molecular formula C19H36N2O2Si and a molecular weight of 352.60 g/mol. Its IUPAC name is N'-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N'-[(1S)-1-(2-methoxyphenyl)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N'-[(1S)-1-(2-methoxyphenyl)ethyl]ethane-1,2-diamine
PubChem CID66658313
Molecular FormulaC19H36N2O2Si
Molecular Weight352.60 g/mol
Exact Mass352.25
IUPAC NameN'-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N'-[(1S)-1-(2-methoxyphenyl)ethyl]ethane-1,2-diamine
SMILESCOc1ccccc1[C@H](C)N(CCN)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H36N2O2Si/c1-16(17-10-8-9-11-18(17)22-5)21(13-12-20)14-15-23-24(6,7)19(2,3)4/h8-11,16H,12-15,20H2,1-7H3/t16-/m0/s1
InChIKeyRMPDVTYOHKHPQM-INIZCTEOSA-N
XLogP4.04
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.60
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N'-[(1S)-1-(2-methoxyphenyl)ethyl]ethane-1,2-diamine?
The IUPAC name of N'-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N'-[(1S)-1-(2-methoxyphenyl)ethyl]ethane-1,2-diamine (CID 66658313) is N'-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N'-[(1S)-1-(2-methoxyphenyl)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N'-[(1S)-1-(2-methoxyphenyl)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N'-[(1S)-1-(2-methoxyphenyl)ethyl]ethane-1,2-diamine is COc1ccccc1[C@H](C)N(CCN)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of N'-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N'-[(1S)-1-(2-methoxyphenyl)ethyl]ethane-1,2-diamine?
The InChIKey is RMPDVTYOHKHPQM-INIZCTEOSA-N. The full InChI is InChI=1S/C19H36N2O2Si/c1-16(17-10-8-9-11-18(17)22-5)21(13-12-20)14-15-23-24(6,7)19(2,3)4/h8-11,16H,12-15,20H2,1-7H3/t16-/m0/s1.
What are the key properties of N'-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N'-[(1S)-1-(2-methoxyphenyl)ethyl]ethane-1,2-diamine?
N'-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N'-[(1S)-1-(2-methoxyphenyl)ethyl]ethane-1,2-diamine has a molecular weight of 352.60 g/mol, XLogP of 4.04, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N'-[(1S)-1-(2-methoxyphenyl)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 66658313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).