N-ethyl-1-(1,1,2-trimethoxy-2-propylsilinan-3-yl)propan-1-amine

C16H35NO3Si — CID 174892298

IUPACN-ethyl-1-(1,1,2-trimethoxy-2-propylsilinan-3-yl)propan-1-amine
SMILESCCCC1(OC)C(C(CC)NCC)CCC[Si]1(OC)OC
InChIInChI=1S/C16H35NO3Si/c1-7-12-16(18-4)14(15(8-2)17-9-3)11-10-13-21(16,19-5)20-6/h14-15,17H,7-13H2,1-6H3
InChIKeySQOSLDXJYFYLRW-UHFFFAOYSA-N
MW317.55 g/mol
LogP3.24
Rot. Bonds9

About N-ethyl-1-(1,1,2-trimethoxy-2-propylsilinan-3-yl)propan-1-amine

N-ethyl-1-(1,1,2-trimethoxy-2-propylsilinan-3-yl)propan-1-amine (PubChem CID 174892298) has the molecular formula C16H35NO3Si and a molecular weight of 317.55 g/mol. Its IUPAC name is N-ethyl-1-(1,1,2-trimethoxy-2-propylsilinan-3-yl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(1,1,2-trimethoxy-2-propylsilinan-3-yl)propan-1-amine
PubChem CID174892298
Molecular FormulaC16H35NO3Si
Molecular Weight317.55 g/mol
Exact Mass317.24
IUPAC NameN-ethyl-1-(1,1,2-trimethoxy-2-propylsilinan-3-yl)propan-1-amine
SMILESCCCC1(OC)C(C(CC)NCC)CCC[Si]1(OC)OC
InChIInChI=1S/C16H35NO3Si/c1-7-12-16(18-4)14(15(8-2)17-9-3)11-10-13-21(16,19-5)20-6/h14-15,17H,7-13H2,1-6H3
InChIKeySQOSLDXJYFYLRW-UHFFFAOYSA-N
XLogP3.24
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.55
LogP ≤ 53.24
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-ethyl-1-(1,1,2-trimethoxy-2-propylsilinan-3-yl)propan-1-amine?
The IUPAC name of N-ethyl-1-(1,1,2-trimethoxy-2-propylsilinan-3-yl)propan-1-amine (CID 174892298) is N-ethyl-1-(1,1,2-trimethoxy-2-propylsilinan-3-yl)propan-1-amine.
What is the SMILES notation for N-ethyl-1-(1,1,2-trimethoxy-2-propylsilinan-3-yl)propan-1-amine?
The canonical SMILES for N-ethyl-1-(1,1,2-trimethoxy-2-propylsilinan-3-yl)propan-1-amine is CCCC1(OC)C(C(CC)NCC)CCC[Si]1(OC)OC.
What is the InChIKey of N-ethyl-1-(1,1,2-trimethoxy-2-propylsilinan-3-yl)propan-1-amine?
The InChIKey is SQOSLDXJYFYLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO3Si/c1-7-12-16(18-4)14(15(8-2)17-9-3)11-10-13-21(16,19-5)20-6/h14-15,17H,7-13H2,1-6H3.
What are the key properties of N-ethyl-1-(1,1,2-trimethoxy-2-propylsilinan-3-yl)propan-1-amine?
N-ethyl-1-(1,1,2-trimethoxy-2-propylsilinan-3-yl)propan-1-amine has a molecular weight of 317.55 g/mol, XLogP of 3.24, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1,1,2-trimethoxy-2-propylsilinan-3-yl)propan-1-amine is sourced from PubChem (CID 174892298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).