1-cyclohexyl-3-[diethoxy(1-phenylethoxy)silyl]propan-1-amine

C21H37NO3Si — CID 70117720

IUPAC1-cyclohexyl-3-[diethoxy(1-phenylethoxy)silyl]propan-1-amine
SMILESCCO[Si](CCC(N)C1CCCCC1)(OCC)OC(C)c1ccccc1
InChIInChI=1S/C21H37NO3Si/c1-4-23-26(24-5-2,25-18(3)19-12-8-6-9-13-19)17-16-21(22)20-14-10-7-11-15-20/h6,8-9,12-13,18,20-21H,4-5,7,10-11,14-17,22H2,1-3H3
InChIKeyBAYUZALHDXVRCP-UHFFFAOYSA-N
MW379.62 g/mol
LogP5.07
Rot. Bonds11

About 1-cyclohexyl-3-[diethoxy(1-phenylethoxy)silyl]propan-1-amine

1-cyclohexyl-3-[diethoxy(1-phenylethoxy)silyl]propan-1-amine (PubChem CID 70117720) has the molecular formula C21H37NO3Si and a molecular weight of 379.62 g/mol. Its IUPAC name is 1-cyclohexyl-3-[diethoxy(1-phenylethoxy)silyl]propan-1-amine.

Molecular Properties

Compound Name1-cyclohexyl-3-[diethoxy(1-phenylethoxy)silyl]propan-1-amine
PubChem CID70117720
Molecular FormulaC21H37NO3Si
Molecular Weight379.62 g/mol
Exact Mass379.25
IUPAC Name1-cyclohexyl-3-[diethoxy(1-phenylethoxy)silyl]propan-1-amine
SMILESCCO[Si](CCC(N)C1CCCCC1)(OCC)OC(C)c1ccccc1
InChIInChI=1S/C21H37NO3Si/c1-4-23-26(24-5-2,25-18(3)19-12-8-6-9-13-19)17-16-21(22)20-14-10-7-11-15-20/h6,8-9,12-13,18,20-21H,4-5,7,10-11,14-17,22H2,1-3H3
InChIKeyBAYUZALHDXVRCP-UHFFFAOYSA-N
XLogP5.07
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.62
LogP ≤ 55.07
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 1-cyclohexyl-3-[diethoxy(1-phenylethoxy)silyl]propan-1-amine?
The IUPAC name of 1-cyclohexyl-3-[diethoxy(1-phenylethoxy)silyl]propan-1-amine (CID 70117720) is 1-cyclohexyl-3-[diethoxy(1-phenylethoxy)silyl]propan-1-amine.
What is the SMILES notation for 1-cyclohexyl-3-[diethoxy(1-phenylethoxy)silyl]propan-1-amine?
The canonical SMILES for 1-cyclohexyl-3-[diethoxy(1-phenylethoxy)silyl]propan-1-amine is CCO[Si](CCC(N)C1CCCCC1)(OCC)OC(C)c1ccccc1.
What is the InChIKey of 1-cyclohexyl-3-[diethoxy(1-phenylethoxy)silyl]propan-1-amine?
The InChIKey is BAYUZALHDXVRCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37NO3Si/c1-4-23-26(24-5-2,25-18(3)19-12-8-6-9-13-19)17-16-21(22)20-14-10-7-11-15-20/h6,8-9,12-13,18,20-21H,4-5,7,10-11,14-17,22H2,1-3H3.
What are the key properties of 1-cyclohexyl-3-[diethoxy(1-phenylethoxy)silyl]propan-1-amine?
1-cyclohexyl-3-[diethoxy(1-phenylethoxy)silyl]propan-1-amine has a molecular weight of 379.62 g/mol, XLogP of 5.07, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[diethoxy(1-phenylethoxy)silyl]propan-1-amine is sourced from PubChem (CID 70117720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).