3-[2-(2,2-diethoxyethylsilyl)ethoxy]-N,N-dimethylpropan-1-amine

C13H31NO3Si — CID 149250413

IUPAC3-[2-(2,2-diethoxyethylsilyl)ethoxy]-N,N-dimethylpropan-1-amine
SMILESCCOC(C[SiH2]CCOCCCN(C)C)OCC
InChIInChI=1S/C13H31NO3Si/c1-5-16-13(17-6-2)12-18-11-10-15-9-7-8-14(3)4/h13H,5-12,18H2,1-4H3
InChIKeyGZUWTNCNXVHCAM-UHFFFAOYSA-N
MW277.48 g/mol
LogP1.36
Rot. Bonds13

About 3-[2-(2,2-diethoxyethylsilyl)ethoxy]-N,N-dimethylpropan-1-amine

3-[2-(2,2-diethoxyethylsilyl)ethoxy]-N,N-dimethylpropan-1-amine (PubChem CID 149250413) has the molecular formula C13H31NO3Si and a molecular weight of 277.48 g/mol. Its IUPAC name is 3-[2-(2,2-diethoxyethylsilyl)ethoxy]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[2-(2,2-diethoxyethylsilyl)ethoxy]-N,N-dimethylpropan-1-amine
PubChem CID149250413
Molecular FormulaC13H31NO3Si
Molecular Weight277.48 g/mol
Exact Mass277.21
IUPAC Name3-[2-(2,2-diethoxyethylsilyl)ethoxy]-N,N-dimethylpropan-1-amine
SMILESCCOC(C[SiH2]CCOCCCN(C)C)OCC
InChIInChI=1S/C13H31NO3Si/c1-5-16-13(17-6-2)12-18-11-10-15-9-7-8-14(3)4/h13H,5-12,18H2,1-4H3
InChIKeyGZUWTNCNXVHCAM-UHFFFAOYSA-N
XLogP1.36
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.48
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-[3-(2,2-dimethoxyethylsilyl)propoxy]-N,N-dimethylpropan-1-amine
CID 149250417
6-[3-(dimethylamino)propoxy]-N,N-dimethylhexan-1-amine
CID 71335921
2,2-diethoxyethyl-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 123713397
potassium 2-[2-[3-(dimethylamino)propoxy]ethoxy]ethanolate
CID 159366457
5-[10-[5-(dimethylamino)pentoxy]decoxy]-N,N-dimethylpentan-1-amine
CID 154134188
2,2-diethoxyethyl-[5-(oxiran-2-ylmethoxy)pentyl]silane
CID 150898745
ethane;4-ethoxy-N,N-dimethylbutan-1-amine
CID 144519642
3-(2-aminoethoxy)-N,N-dimethylpropan-1-amine
CID 56993773
N,N-dimethyl-3-pentan-3-yloxypropan-1-amine
CID 126576057
2,2-diethoxyethyl(hex-5-enyl)silane
CID 151959610
2-(2,2-diethoxyethylsilyl)ethyl prop-2-enoate
CID 154323498
3-[2-[diethoxy(ethyl)silyl]ethoxy]-N,N-dimethylpropan-1-amine
CID 90074863

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,2-diethoxyethylsilyl)ethoxy]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[2-(2,2-diethoxyethylsilyl)ethoxy]-N,N-dimethylpropan-1-amine (CID 149250413) is 3-[2-(2,2-diethoxyethylsilyl)ethoxy]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[2-(2,2-diethoxyethylsilyl)ethoxy]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[2-(2,2-diethoxyethylsilyl)ethoxy]-N,N-dimethylpropan-1-amine is CCOC(C[SiH2]CCOCCCN(C)C)OCC.
What is the InChIKey of 3-[2-(2,2-diethoxyethylsilyl)ethoxy]-N,N-dimethylpropan-1-amine?
The InChIKey is GZUWTNCNXVHCAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H31NO3Si/c1-5-16-13(17-6-2)12-18-11-10-15-9-7-8-14(3)4/h13H,5-12,18H2,1-4H3.
What are the key properties of 3-[2-(2,2-diethoxyethylsilyl)ethoxy]-N,N-dimethylpropan-1-amine?
3-[2-(2,2-diethoxyethylsilyl)ethoxy]-N,N-dimethylpropan-1-amine has a molecular weight of 277.48 g/mol, XLogP of 1.36, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,2-diethoxyethylsilyl)ethoxy]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 149250413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).