3-(3-ethyl-1,1,2-trimethoxysilinan-2-yl)propan-1-amine

C13H29NO3Si — CID 174818677

IUPAC3-(3-ethyl-1,1,2-trimethoxysilinan-2-yl)propan-1-amine
SMILESCCC1CCC[Si](OC)(OC)C1(CCCN)OC
InChIInChI=1S/C13H29NO3Si/c1-5-12-8-6-11-18(16-3,17-4)13(12,15-2)9-7-10-14/h12H,5-11,14H2,1-4H3
InChIKeyZKRXOEWCAUWWFR-UHFFFAOYSA-N
MW275.46 g/mol
LogP2.20
Rot. Bonds7

About 3-(3-ethyl-1,1,2-trimethoxysilinan-2-yl)propan-1-amine

3-(3-ethyl-1,1,2-trimethoxysilinan-2-yl)propan-1-amine (PubChem CID 174818677) has the molecular formula C13H29NO3Si and a molecular weight of 275.46 g/mol. Its IUPAC name is 3-(3-ethyl-1,1,2-trimethoxysilinan-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(3-ethyl-1,1,2-trimethoxysilinan-2-yl)propan-1-amine
PubChem CID174818677
Molecular FormulaC13H29NO3Si
Molecular Weight275.46 g/mol
Exact Mass275.19
IUPAC Name3-(3-ethyl-1,1,2-trimethoxysilinan-2-yl)propan-1-amine
SMILESCCC1CCC[Si](OC)(OC)C1(CCCN)OC
InChIInChI=1S/C13H29NO3Si/c1-5-12-8-6-11-18(16-3,17-4)13(12,15-2)9-7-10-14/h12H,5-11,14H2,1-4H3
InChIKeyZKRXOEWCAUWWFR-UHFFFAOYSA-N
XLogP2.20
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.46
LogP ≤ 52.20
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

3-(2,2,6-Triethyloxasilinan-6-yl)propan-1-amine
CID 67253956
3-(2,2,6-Trimethyloxasilinan-6-yl)propan-1-amine
CID 67254072
3-(1,1,2-Triethoxysilinan-2-yl)propan-1-amine
CID 174259189
3-[3-(2-Aminoethyl)-1,1,2-trimethoxysilinan-2-yl]propan-1-amine
CID 174274740
2-[(1,1,2-Trimethoxysilinan-2-yl)methyl]butane-1,4-diamine
CID 174281592
5-(1,1,2-Trimethoxysilinan-2-yl)pentan-1-amine
CID 174387046
2-(1,1,2-Trimethoxy-2-propylsilinan-3-yl)ethanamine
CID 174387047
3-(3-Ethyl-1,1,2-trimethoxysilinan-2-yl)propylhydrazine
CID 174389296
N-ethyl-2-methyl-3-(1,1,2-trimethoxysilinan-2-yl)propan-1-amine
CID 174389512
3-[3,3-Bis(2-aminoethyl)-1,1,2-trimethoxysilinan-2-yl]propan-1-amine
CID 174403131
N,2-dimethyl-3-(1,1,2-trimethoxysilinan-2-yl)propan-1-amine
CID 174432379
3-(2-Aminoethyl)-1,1,2-trimethoxy-2-propylsilinan-3-amine
CID 174458398

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-1,1,2-trimethoxysilinan-2-yl)propan-1-amine?
The IUPAC name of 3-(3-ethyl-1,1,2-trimethoxysilinan-2-yl)propan-1-amine (CID 174818677) is 3-(3-ethyl-1,1,2-trimethoxysilinan-2-yl)propan-1-amine.
What is the SMILES notation for 3-(3-ethyl-1,1,2-trimethoxysilinan-2-yl)propan-1-amine?
The canonical SMILES for 3-(3-ethyl-1,1,2-trimethoxysilinan-2-yl)propan-1-amine is CCC1CCC[Si](OC)(OC)C1(CCCN)OC.
What is the InChIKey of 3-(3-ethyl-1,1,2-trimethoxysilinan-2-yl)propan-1-amine?
The InChIKey is ZKRXOEWCAUWWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO3Si/c1-5-12-8-6-11-18(16-3,17-4)13(12,15-2)9-7-10-14/h12H,5-11,14H2,1-4H3.
What are the key properties of 3-(3-ethyl-1,1,2-trimethoxysilinan-2-yl)propan-1-amine?
3-(3-ethyl-1,1,2-trimethoxysilinan-2-yl)propan-1-amine has a molecular weight of 275.46 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-1,1,2-trimethoxysilinan-2-yl)propan-1-amine is sourced from PubChem (CID 174818677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).