1-[2-[2-aminoethyl(phosphanyl)amino]ethyl]-1-[2-(methylamino)ethyl]-3-(3-triethoxysilylpropyl)urea

C17H42N5O4PSi — CID 22964411

IUPAC1-[2-[2-aminoethyl(phosphanyl)amino]ethyl]-1-[2-(methylamino)ethyl]-3-(3-triethoxysilylpropyl)urea
SMILESCCO[Si](CCCNC(=O)N(CCNC)CCN(P)CCN)(OCC)OCC
InChIInChI=1S/C17H42N5O4PSi/c1-5-24-28(25-6-2,26-7-3)16-8-10-20-17(23)21(13-11-19-4)14-15-22(27)12-9-18/h19H,5-16,18,27H2,1-4H3,(H,20,23)
InChIKeyUJHQVIHNNXXMHL-UHFFFAOYSA-N
MW439.61 g/mol
LogP0.71
Rot. Bonds18

About 1-[2-[2-aminoethyl(phosphanyl)amino]ethyl]-1-[2-(methylamino)ethyl]-3-(3-triethoxysilylpropyl)urea

1-[2-[2-aminoethyl(phosphanyl)amino]ethyl]-1-[2-(methylamino)ethyl]-3-(3-triethoxysilylpropyl)urea (PubChem CID 22964411) has the molecular formula C17H42N5O4PSi and a molecular weight of 439.61 g/mol. Its IUPAC name is 1-[2-[2-aminoethyl(phosphanyl)amino]ethyl]-1-[2-(methylamino)ethyl]-3-(3-triethoxysilylpropyl)urea.

Molecular Properties

Compound Name1-[2-[2-aminoethyl(phosphanyl)amino]ethyl]-1-[2-(methylamino)ethyl]-3-(3-triethoxysilylpropyl)urea
PubChem CID22964411
Molecular FormulaC17H42N5O4PSi
Molecular Weight439.61 g/mol
Exact Mass439.27
IUPAC Name1-[2-[2-aminoethyl(phosphanyl)amino]ethyl]-1-[2-(methylamino)ethyl]-3-(3-triethoxysilylpropyl)urea
SMILESCCO[Si](CCCNC(=O)N(CCNC)CCN(P)CCN)(OCC)OCC
InChIInChI=1S/C17H42N5O4PSi/c1-5-24-28(25-6-2,26-7-3)16-8-10-20-17(23)21(13-11-19-4)14-15-22(27)12-9-18/h19H,5-16,18,27H2,1-4H3,(H,20,23)
InChIKeyUJHQVIHNNXXMHL-UHFFFAOYSA-N
XLogP0.71
TPSA101.32 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.61
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(methylamino)ethyl]-1-[2-(phosphanylamino)ethyl]-3-(3-triethoxysilylpropyl)urea;propan-2-one
CID 160690562
1,1-dipropyl-3-(3-triethoxysilylpropyl)urea
CID 59782779
1-[1-[2-[2-(methylamino)ethyl-phosphanylamino]ethylamino]ethyl]-3-(3-triethoxysilylpropyl)urea
CID 22964415
3-triethoxysilylpropan-1-amine;3-triethoxysilylpropylurea
CID 88634615
silane;3-triethoxysilylpropylurea
CID 161180470
2-amino-N-(3-triethoxysilylpropyl)acetamide
CID 59561209
1-(2-aminoethyl)-1-(3-triethoxysilylpropyl)urea
CID 123366285
3-(3-trimethoxysilylpropyl)-1,1-bis[2-(3-trimethoxysilylpropylcarbamoylamino)ethyl]urea
CID 20743189
1-(3-triethoxysilylpropyl)-3-[6-(3-triethoxysilylpropylcarbamoylamino)hexyl]urea
CID 87657796
[2-[[(2S)-1-hexadecoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]-[3-[3-[[2-[[(2S)-1-hexadecoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]-dimethylazaniumyl]propyl-(3-triethoxysilylpropylcarbamoyl)amino]propyl]-dimethylazanium
CID 101258127
octadecyl N-(3-triethoxysilylpropyl)carbamate
CID 58802948
heptadecyl N-(3-triethoxysilylpropyl)carbamate
CID 102190904

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-aminoethyl(phosphanyl)amino]ethyl]-1-[2-(methylamino)ethyl]-3-(3-triethoxysilylpropyl)urea?
The IUPAC name of 1-[2-[2-aminoethyl(phosphanyl)amino]ethyl]-1-[2-(methylamino)ethyl]-3-(3-triethoxysilylpropyl)urea (CID 22964411) is 1-[2-[2-aminoethyl(phosphanyl)amino]ethyl]-1-[2-(methylamino)ethyl]-3-(3-triethoxysilylpropyl)urea.
What is the SMILES notation for 1-[2-[2-aminoethyl(phosphanyl)amino]ethyl]-1-[2-(methylamino)ethyl]-3-(3-triethoxysilylpropyl)urea?
The canonical SMILES for 1-[2-[2-aminoethyl(phosphanyl)amino]ethyl]-1-[2-(methylamino)ethyl]-3-(3-triethoxysilylpropyl)urea is CCO[Si](CCCNC(=O)N(CCNC)CCN(P)CCN)(OCC)OCC.
What is the InChIKey of 1-[2-[2-aminoethyl(phosphanyl)amino]ethyl]-1-[2-(methylamino)ethyl]-3-(3-triethoxysilylpropyl)urea?
The InChIKey is UJHQVIHNNXXMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H42N5O4PSi/c1-5-24-28(25-6-2,26-7-3)16-8-10-20-17(23)21(13-11-19-4)14-15-22(27)12-9-18/h19H,5-16,18,27H2,1-4H3,(H,20,23).
What are the key properties of 1-[2-[2-aminoethyl(phosphanyl)amino]ethyl]-1-[2-(methylamino)ethyl]-3-(3-triethoxysilylpropyl)urea?
1-[2-[2-aminoethyl(phosphanyl)amino]ethyl]-1-[2-(methylamino)ethyl]-3-(3-triethoxysilylpropyl)urea has a molecular weight of 439.61 g/mol, XLogP of 0.71, 18 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-aminoethyl(phosphanyl)amino]ethyl]-1-[2-(methylamino)ethyl]-3-(3-triethoxysilylpropyl)urea is sourced from PubChem (CID 22964411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).