N-ethyl-N-(oxiran-2-ylmethyl)-3-triethoxysilylpropan-1-amine

C14H31NO4Si — CID 156771884

IUPACN-ethyl-N-(oxiran-2-ylmethyl)-3-triethoxysilylpropan-1-amine
SMILESCCO[Si](CCCN(CC)CC1CO1)(OCC)OCC
InChIInChI=1S/C14H31NO4Si/c1-5-15(12-14-13-16-14)10-9-11-20(17-6-2,18-7-3)19-8-4/h14H,5-13H2,1-4H3
InChIKeyDOLPAIABEBAGCG-UHFFFAOYSA-N
MW305.49 g/mol
LogP2.15
Rot. Bonds13

About N-ethyl-N-(oxiran-2-ylmethyl)-3-triethoxysilylpropan-1-amine

N-ethyl-N-(oxiran-2-ylmethyl)-3-triethoxysilylpropan-1-amine (PubChem CID 156771884) has the molecular formula C14H31NO4Si and a molecular weight of 305.49 g/mol. Its IUPAC name is N-ethyl-N-(oxiran-2-ylmethyl)-3-triethoxysilylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-N-(oxiran-2-ylmethyl)-3-triethoxysilylpropan-1-amine
PubChem CID156771884
Molecular FormulaC14H31NO4Si
Molecular Weight305.49 g/mol
Exact Mass305.20
IUPAC NameN-ethyl-N-(oxiran-2-ylmethyl)-3-triethoxysilylpropan-1-amine
SMILESCCO[Si](CCCN(CC)CC1CO1)(OCC)OCC
InChIInChI=1S/C14H31NO4Si/c1-5-15(12-14-13-16-14)10-9-11-20(17-6-2,18-7-3)19-8-4/h14H,5-13H2,1-4H3
InChIKeyDOLPAIABEBAGCG-UHFFFAOYSA-N
XLogP2.15
TPSA43.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.49
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-ethyl-N-(oxiran-2-ylmethyl)-3-triethoxysilylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-bis(oxiran-2-ylmethyl)-3-triethoxysilylpropan-1-amine
CID 19379542
N,N,N'-triethyl-N'-(oxiran-2-ylmethyl)propane-1,3-diamine
CID 102992625
N-ethyl-N-(oxiran-2-ylmethyl)tetradecan-1-amine;hydrochloride
CID 174335723
silane;triethoxy-[3-(oxiran-2-ylmethylperoxy)propyl]silane
CID 173126681
2-(oxiran-2-ylmethoxymethyl)oxirane;silane;3-triethoxysilylpropan-1-amine
CID 174864417
N'-[3-(dimethylamino)propyl]-N,N-dimethyl-N'-(3-triethoxysilylpropyl)propane-1,3-diamine
CID 140647406
propane-1-thiol;triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 174889951
N-butyl-N-(oxiran-2-ylmethyl)butan-1-amine;hydrochloride
CID 159534720
2-[2-[2-hydroxyethyl(3-triethoxysilylpropyl)amino]ethyl-(3-triethoxysilylpropyl)amino]ethanol
CID 165406159
N-(2-methoxyethyl)-3-triethoxysilyl-N-(3-triethoxysilylpropyl)propan-1-amine
CID 162775125
2-[ethoxy-(2-hydroxyethoxy)-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxyethanol
CID 87723371
N-ethoxy-N-silyl-3-triethoxysilylpropan-1-amine
CID 173146503

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(oxiran-2-ylmethyl)-3-triethoxysilylpropan-1-amine?
The IUPAC name of N-ethyl-N-(oxiran-2-ylmethyl)-3-triethoxysilylpropan-1-amine (CID 156771884) is N-ethyl-N-(oxiran-2-ylmethyl)-3-triethoxysilylpropan-1-amine.
What is the SMILES notation for N-ethyl-N-(oxiran-2-ylmethyl)-3-triethoxysilylpropan-1-amine?
The canonical SMILES for N-ethyl-N-(oxiran-2-ylmethyl)-3-triethoxysilylpropan-1-amine is CCO[Si](CCCN(CC)CC1CO1)(OCC)OCC.
What is the InChIKey of N-ethyl-N-(oxiran-2-ylmethyl)-3-triethoxysilylpropan-1-amine?
The InChIKey is DOLPAIABEBAGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO4Si/c1-5-15(12-14-13-16-14)10-9-11-20(17-6-2,18-7-3)19-8-4/h14H,5-13H2,1-4H3.
What are the key properties of N-ethyl-N-(oxiran-2-ylmethyl)-3-triethoxysilylpropan-1-amine?
N-ethyl-N-(oxiran-2-ylmethyl)-3-triethoxysilylpropan-1-amine has a molecular weight of 305.49 g/mol, XLogP of 2.15, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(oxiran-2-ylmethyl)-3-triethoxysilylpropan-1-amine is sourced from PubChem (CID 156771884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).