(1S)-N-ethyl-2-methyl-1-trimethoxysilylpropan-1-amine

C9H23NO3Si — CID 99865004

IUPAC(1S)-N-ethyl-2-methyl-1-trimethoxysilylpropan-1-amine
SMILESCCN[C@H](C(C)C)[Si](OC)(OC)OC
InChIInChI=1S/C9H23NO3Si/c1-7-10-9(8(2)3)14(11-4,12-5)13-6/h8-10H,7H2,1-6H3/t9-/m0/s1
InChIKeyXHTUAIITEFRCHJ-VIFPVBQESA-N
MW221.37 g/mol
LogP1.04
Rot. Bonds7

About (1S)-N-ethyl-2-methyl-1-trimethoxysilylpropan-1-amine

(1S)-N-ethyl-2-methyl-1-trimethoxysilylpropan-1-amine (PubChem CID 99865004) has the molecular formula C9H23NO3Si and a molecular weight of 221.37 g/mol. Its IUPAC name is (1S)-N-ethyl-2-methyl-1-trimethoxysilylpropan-1-amine.

Molecular Properties

Compound Name(1S)-N-ethyl-2-methyl-1-trimethoxysilylpropan-1-amine
PubChem CID99865004
Molecular FormulaC9H23NO3Si
Molecular Weight221.37 g/mol
Exact Mass221.14
IUPAC Name(1S)-N-ethyl-2-methyl-1-trimethoxysilylpropan-1-amine
SMILESCCN[C@H](C(C)C)[Si](OC)(OC)OC
InChIInChI=1S/C9H23NO3Si/c1-7-10-9(8(2)3)14(11-4,12-5)13-6/h8-10H,7H2,1-6H3/t9-/m0/s1
InChIKeyXHTUAIITEFRCHJ-VIFPVBQESA-N
XLogP1.04
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 51.04
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 (1S)-N-ethyl-2-methyl-1-trimethoxysilylpropan-1-amine?
The IUPAC name of (1S)-N-ethyl-2-methyl-1-trimethoxysilylpropan-1-amine (CID 99865004) is (1S)-N-ethyl-2-methyl-1-trimethoxysilylpropan-1-amine.
What is the SMILES notation for (1S)-N-ethyl-2-methyl-1-trimethoxysilylpropan-1-amine?
The canonical SMILES for (1S)-N-ethyl-2-methyl-1-trimethoxysilylpropan-1-amine is CCN[C@H](C(C)C)[Si](OC)(OC)OC.
What is the InChIKey of (1S)-N-ethyl-2-methyl-1-trimethoxysilylpropan-1-amine?
The InChIKey is XHTUAIITEFRCHJ-VIFPVBQESA-N. The full InChI is InChI=1S/C9H23NO3Si/c1-7-10-9(8(2)3)14(11-4,12-5)13-6/h8-10H,7H2,1-6H3/t9-/m0/s1.
What are the key properties of (1S)-N-ethyl-2-methyl-1-trimethoxysilylpropan-1-amine?
(1S)-N-ethyl-2-methyl-1-trimethoxysilylpropan-1-amine has a molecular weight of 221.37 g/mol, XLogP of 1.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-ethyl-2-methyl-1-trimethoxysilylpropan-1-amine is sourced from PubChem (CID 99865004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).