1-(3-benzyl-1,1,2-trimethoxy-2-propylsilinan-3-yl)ethanamine

C20H35NO3Si — CID 174681212

IUPAC1-(3-benzyl-1,1,2-trimethoxy-2-propylsilinan-3-yl)ethanamine
SMILESCCCC1(OC)C(Cc2ccccc2)(C(C)N)CCC[Si]1(OC)OC
InChIInChI=1S/C20H35NO3Si/c1-6-13-20(22-3)19(17(2)21,16-18-11-8-7-9-12-18)14-10-15-25(20,23-4)24-5/h7-9,11-12,17H,6,10,13-16,21H2,1-5H3
InChIKeyGGLDVOKXTARYFL-UHFFFAOYSA-N
MW365.59 g/mol
LogP3.82
Rot. Bonds8

About 1-(3-benzyl-1,1,2-trimethoxy-2-propylsilinan-3-yl)ethanamine

1-(3-benzyl-1,1,2-trimethoxy-2-propylsilinan-3-yl)ethanamine (PubChem CID 174681212) has the molecular formula C20H35NO3Si and a molecular weight of 365.59 g/mol. Its IUPAC name is 1-(3-benzyl-1,1,2-trimethoxy-2-propylsilinan-3-yl)ethanamine.

Molecular Properties

Compound Name1-(3-benzyl-1,1,2-trimethoxy-2-propylsilinan-3-yl)ethanamine
PubChem CID174681212
Molecular FormulaC20H35NO3Si
Molecular Weight365.59 g/mol
Exact Mass365.24
IUPAC Name1-(3-benzyl-1,1,2-trimethoxy-2-propylsilinan-3-yl)ethanamine
SMILESCCCC1(OC)C(Cc2ccccc2)(C(C)N)CCC[Si]1(OC)OC
InChIInChI=1S/C20H35NO3Si/c1-6-13-20(22-3)19(17(2)21,16-18-11-8-7-9-12-18)14-10-15-25(20,23-4)24-5/h7-9,11-12,17H,6,10,13-16,21H2,1-5H3
InChIKeyGGLDVOKXTARYFL-UHFFFAOYSA-N
XLogP3.82
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.59
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-N'-(3-benzyl-1,1,2-trimethoxy-2-propylsilinan-3-yl)ethane-1,1-diamine
CID 174731945
3-(1-aminoethyl)-1,1,2-trimethoxy-2-propylsilinan-3-amine
CID 174805272
1,1,2-trimethoxy-4-phenyl-2-propylsilinane-3,3,4-triamine
CID 174940753
3-N'-(1-aminoethyl)-3-N-ethyl-1,1,2-trimethoxy-2-propylsilinane-3,3-diamine
CID 174427736
1-(1,1,2-trimethoxy-3-methyl-2-propylsilinan-3-yl)prop-2-en-1-one
CID 174647401
(2R)-2-benzyl-2-propylpyrrolidine
CID 124511321
3-N-ethyl-1,1,2-trimethoxy-3-propylsilinane-2,3-diamine
CID 174973430
3-amino-N-[(1-benzylcyclobutyl)methyl]-2-methylbutanamide;hydrochloride
CID 120502353
1-(1-ethoxy-3-methylcyclohexyl)-2-phenylethanamine
CID 116768003
2-[3-(1,1,2-trimethoxysilinan-2-yl)propoxy]aniline
CID 174819805
1-(1-phenylcyclopentyl)ethanamine;hydrochloride
CID 75466877
chloroethane;1,1,2-trimethoxy-2-propylsilinane
CID 174406233

Frequently Asked Questions

What is the IUPAC name of 1-(3-benzyl-1,1,2-trimethoxy-2-propylsilinan-3-yl)ethanamine?
The IUPAC name of 1-(3-benzyl-1,1,2-trimethoxy-2-propylsilinan-3-yl)ethanamine (CID 174681212) is 1-(3-benzyl-1,1,2-trimethoxy-2-propylsilinan-3-yl)ethanamine.
What is the SMILES notation for 1-(3-benzyl-1,1,2-trimethoxy-2-propylsilinan-3-yl)ethanamine?
The canonical SMILES for 1-(3-benzyl-1,1,2-trimethoxy-2-propylsilinan-3-yl)ethanamine is CCCC1(OC)C(Cc2ccccc2)(C(C)N)CCC[Si]1(OC)OC.
What is the InChIKey of 1-(3-benzyl-1,1,2-trimethoxy-2-propylsilinan-3-yl)ethanamine?
The InChIKey is GGLDVOKXTARYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35NO3Si/c1-6-13-20(22-3)19(17(2)21,16-18-11-8-7-9-12-18)14-10-15-25(20,23-4)24-5/h7-9,11-12,17H,6,10,13-16,21H2,1-5H3.
What are the key properties of 1-(3-benzyl-1,1,2-trimethoxy-2-propylsilinan-3-yl)ethanamine?
1-(3-benzyl-1,1,2-trimethoxy-2-propylsilinan-3-yl)ethanamine has a molecular weight of 365.59 g/mol, XLogP of 3.82, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-benzyl-1,1,2-trimethoxy-2-propylsilinan-3-yl)ethanamine is sourced from PubChem (CID 174681212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).