3-triethoxysilylpropan-1-amine;3-triethoxysilylpropylurea

C19H47N3O7Si2 — CID 88634615

IUPAC3-triethoxysilylpropan-1-amine;3-triethoxysilylpropylurea
SMILESCCO[Si](CCCN)(OCC)OCC.CCO[Si](CCCNC(N)=O)(OCC)OCC
InChIInChI=1S/C10H24N2O4Si.C9H23NO3Si/c1-4-14-17(15-5-2,16-6-3)9-7-8-12-10(11)13;1-4-11-14(12-5-2,13-6-3)9-7-8-10/h4-9H2,1-3H3,(H3,11,12,13);4-10H2,1-3H3
InChIKeyMIKANCXDDSSEKF-UHFFFAOYSA-N
MW485.77 g/mol
LogP2.48
Rot. Bonds19

About 3-triethoxysilylpropan-1-amine;3-triethoxysilylpropylurea

3-triethoxysilylpropan-1-amine;3-triethoxysilylpropylurea (PubChem CID 88634615) has the molecular formula C19H47N3O7Si2 and a molecular weight of 485.77 g/mol. Its IUPAC name is 3-triethoxysilylpropan-1-amine;3-triethoxysilylpropylurea.

Molecular Properties

Compound Name3-triethoxysilylpropan-1-amine;3-triethoxysilylpropylurea
PubChem CID88634615
Molecular FormulaC19H47N3O7Si2
Molecular Weight485.77 g/mol
Exact Mass485.30
IUPAC Name3-triethoxysilylpropan-1-amine;3-triethoxysilylpropylurea
SMILESCCO[Si](CCCN)(OCC)OCC.CCO[Si](CCCNC(N)=O)(OCC)OCC
InChIInChI=1S/C10H24N2O4Si.C9H23NO3Si/c1-4-14-17(15-5-2,16-6-3)9-7-8-12-10(11)13;1-4-11-14(12-5-2,13-6-3)9-7-8-10/h4-9H2,1-3H3,(H3,11,12,13);4-10H2,1-3H3
InChIKeyMIKANCXDDSSEKF-UHFFFAOYSA-N
XLogP2.48
TPSA136.52 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds19
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.77
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

silane;3-triethoxysilylpropylurea
CID 161180470
ethyl carbamate;3-triethoxysilylpropan-1-amine
CID 90205560
2-amino-N-(3-triethoxysilylpropyl)acetamide
CID 59561209
N-ethyl-3-triethoxysilylpropan-1-amine;3-triethoxysilylpropan-1-amine
CID 88688172
1-(3-triethoxysilylpropyl)-3-[6-(3-triethoxysilylpropylcarbamoylamino)hexyl]urea
CID 87657796
sulfuric acid;3-triethoxysilylpropan-1-amine
CID 172732865
N-(3-triethoxysilylpropyl)butanamide
CID 20829613
1-octyl-3-(3-triethoxysilylpropyl)urea
CID 102048521
N-(3-triethoxysilylpropyl)hexanamide
CID 71321496
propan-2-yl N-(3-triethoxysilylpropyl)carbamate
CID 87069299
1-triethoxysilylheptan-4-ylurea
CID 87656666
octadecyl N-(3-triethoxysilylpropyl)carbamate
CID 58802948

Frequently Asked Questions

What is the IUPAC name of 3-triethoxysilylpropan-1-amine;3-triethoxysilylpropylurea?
The IUPAC name of 3-triethoxysilylpropan-1-amine;3-triethoxysilylpropylurea (CID 88634615) is 3-triethoxysilylpropan-1-amine;3-triethoxysilylpropylurea.
What is the SMILES notation for 3-triethoxysilylpropan-1-amine;3-triethoxysilylpropylurea?
The canonical SMILES for 3-triethoxysilylpropan-1-amine;3-triethoxysilylpropylurea is CCO[Si](CCCN)(OCC)OCC.CCO[Si](CCCNC(N)=O)(OCC)OCC.
What is the InChIKey of 3-triethoxysilylpropan-1-amine;3-triethoxysilylpropylurea?
The InChIKey is MIKANCXDDSSEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O4Si.C9H23NO3Si/c1-4-14-17(15-5-2,16-6-3)9-7-8-12-10(11)13;1-4-11-14(12-5-2,13-6-3)9-7-8-10/h4-9H2,1-3H3,(H3,11,12,13);4-10H2,1-3H3.
What are the key properties of 3-triethoxysilylpropan-1-amine;3-triethoxysilylpropylurea?
3-triethoxysilylpropan-1-amine;3-triethoxysilylpropylurea has a molecular weight of 485.77 g/mol, XLogP of 2.48, 19 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-triethoxysilylpropan-1-amine;3-triethoxysilylpropylurea is sourced from PubChem (CID 88634615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).