1-deuterio-N-ethyl-N-methyl-3-trimethoxysilylpropan-1-amine

C9H23NO3Si — CID 175714335

IUPAC1-deuterio-N-ethyl-N-methyl-3-trimethoxysilylpropan-1-amine
SMILES[2H]C(CC[Si](OC)(OC)OC)N(C)CC
InChIInChI=1S/C9H23NO3Si/c1-6-10(2)8-7-9-14(11-3,12-4)13-5/h6-9H2,1-5H3/i8D
InChIKeyLRDKHFIMZPKOKL-BNEYPBHNSA-N
MW222.38 g/mol
LogP1.21
Rot. Bonds8

About 1-deuterio-N-ethyl-N-methyl-3-trimethoxysilylpropan-1-amine

1-deuterio-N-ethyl-N-methyl-3-trimethoxysilylpropan-1-amine (PubChem CID 175714335) has the molecular formula C9H23NO3Si and a molecular weight of 222.38 g/mol. Its IUPAC name is 1-deuterio-N-ethyl-N-methyl-3-trimethoxysilylpropan-1-amine.

Molecular Properties

Compound Name1-deuterio-N-ethyl-N-methyl-3-trimethoxysilylpropan-1-amine
PubChem CID175714335
Molecular FormulaC9H23NO3Si
Molecular Weight222.38 g/mol
Exact Mass222.15
IUPAC Name1-deuterio-N-ethyl-N-methyl-3-trimethoxysilylpropan-1-amine
SMILES[2H]C(CC[Si](OC)(OC)OC)N(C)CC
InChIInChI=1S/C9H23NO3Si/c1-6-10(2)8-7-9-14(11-3,12-4)13-5/h6-9H2,1-5H3/i8D
InChIKeyLRDKHFIMZPKOKL-BNEYPBHNSA-N
XLogP1.21
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N',N'-diethyl-N-methyl-N-(3-trimethoxysilylpropyl)ethane-1,2-diamine
CID 163209900
trimethoxy(6-trimethoxysilylhexyl)silane
CID 158013726
N-methyl-N-(3-trimethoxysilylpropyl)decan-1-amine;hydroiodide
CID 174161924
N'-[3-(diethylamino)propyl]-N,N-diethyl-N'-(3-trimethoxysilylpropyl)propane-1,3-diamine
CID 140647739
hexane;bis(hexyl(trimethoxy)silane)
CID 175053771
azane;trimethoxy(pentyl)silane
CID 19608931
trimethoxy(pentacontyl)silane
CID 87930715
hexacosyl(trimethoxy)silane
CID 150262252
dodecyl(trimethoxy)silane;octane
CID 174570785
decyl(trimethoxy)silane;hexyl(trimethoxy)silane
CID 22665206
N,N-dimethyl-1-trimethoxysilylicosan-7-amine;hydrochloride
CID 173427535
dodecyl(trimethoxy)silane;λ2-plumbane
CID 175120013

Frequently Asked Questions

What is the IUPAC name of 1-deuterio-N-ethyl-N-methyl-3-trimethoxysilylpropan-1-amine?
The IUPAC name of 1-deuterio-N-ethyl-N-methyl-3-trimethoxysilylpropan-1-amine (CID 175714335) is 1-deuterio-N-ethyl-N-methyl-3-trimethoxysilylpropan-1-amine.
What is the SMILES notation for 1-deuterio-N-ethyl-N-methyl-3-trimethoxysilylpropan-1-amine?
The canonical SMILES for 1-deuterio-N-ethyl-N-methyl-3-trimethoxysilylpropan-1-amine is [2H]C(CC[Si](OC)(OC)OC)N(C)CC.
What is the InChIKey of 1-deuterio-N-ethyl-N-methyl-3-trimethoxysilylpropan-1-amine?
The InChIKey is LRDKHFIMZPKOKL-BNEYPBHNSA-N. The full InChI is InChI=1S/C9H23NO3Si/c1-6-10(2)8-7-9-14(11-3,12-4)13-5/h6-9H2,1-5H3/i8D.
What are the key properties of 1-deuterio-N-ethyl-N-methyl-3-trimethoxysilylpropan-1-amine?
1-deuterio-N-ethyl-N-methyl-3-trimethoxysilylpropan-1-amine has a molecular weight of 222.38 g/mol, XLogP of 1.21, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-deuterio-N-ethyl-N-methyl-3-trimethoxysilylpropan-1-amine is sourced from PubChem (CID 175714335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).