1-[1-[2-[2-(methylamino)ethyl-phosphanylamino]ethylamino]ethyl]-3-(3-triethoxysilylpropyl)urea

C17H42N5O4PSi — CID 22964415

IUPAC1-[1-[2-[2-(methylamino)ethyl-phosphanylamino]ethylamino]ethyl]-3-(3-triethoxysilylpropyl)urea
SMILESCCO[Si](CCCNC(=O)NC(C)NCCN(P)CCNC)(OCC)OCC
InChIInChI=1S/C17H42N5O4PSi/c1-6-24-28(25-7-2,26-8-3)15-9-10-20-17(23)21-16(4)19-12-14-22(27)13-11-18-5/h16,18-19H,6-15,27H2,1-5H3,(H2,20,21,23)
InChIKeyHAIOAWXKHZKCNI-UHFFFAOYSA-N
MW439.61 g/mol
LogP0.97
Rot. Bonds18

About 1-[1-[2-[2-(methylamino)ethyl-phosphanylamino]ethylamino]ethyl]-3-(3-triethoxysilylpropyl)urea

1-[1-[2-[2-(methylamino)ethyl-phosphanylamino]ethylamino]ethyl]-3-(3-triethoxysilylpropyl)urea (PubChem CID 22964415) has the molecular formula C17H42N5O4PSi and a molecular weight of 439.61 g/mol. Its IUPAC name is 1-[1-[2-[2-(methylamino)ethyl-phosphanylamino]ethylamino]ethyl]-3-(3-triethoxysilylpropyl)urea.

Molecular Properties

Compound Name1-[1-[2-[2-(methylamino)ethyl-phosphanylamino]ethylamino]ethyl]-3-(3-triethoxysilylpropyl)urea
PubChem CID22964415
Molecular FormulaC17H42N5O4PSi
Molecular Weight439.61 g/mol
Exact Mass439.27
IUPAC Name1-[1-[2-[2-(methylamino)ethyl-phosphanylamino]ethylamino]ethyl]-3-(3-triethoxysilylpropyl)urea
SMILESCCO[Si](CCCNC(=O)NC(C)NCCN(P)CCNC)(OCC)OCC
InChIInChI=1S/C17H42N5O4PSi/c1-6-24-28(25-7-2,26-8-3)15-9-10-20-17(23)21-16(4)19-12-14-22(27)13-11-18-5/h16,18-19H,6-15,27H2,1-5H3,(H2,20,21,23)
InChIKeyHAIOAWXKHZKCNI-UHFFFAOYSA-N
XLogP0.97
TPSA96.12 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.61
LogP ≤ 50.97
H-Bond Donors ≤ 54
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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-[2-[2-aminoethyl(phosphanyl)amino]ethyl]-1-[2-(methylamino)ethyl]-3-(3-triethoxysilylpropyl)urea
CID 22964411
1-(3-triethoxysilylpropyl)-3-[6-(3-triethoxysilylpropylcarbamoylamino)hexyl]urea
CID 87657796
1-octyl-3-(3-triethoxysilylpropyl)urea
CID 102048521
1-[2-(methylamino)ethyl]-1-[2-(phosphanylamino)ethyl]-3-(3-triethoxysilylpropyl)urea;propan-2-one
CID 160690562
propan-2-yl N-(3-triethoxysilylpropyl)carbamate
CID 87069299
1-(3-triethoxysilylpropyl)-3-[(3-triethoxysilylpropylcarbamoylamino)carbamothioylamino]urea
CID 102174342
1,1-dipropyl-3-(3-triethoxysilylpropyl)urea
CID 59782779
CID 102321543
CID 102321543
1-(3-triethoxysilylpropyl)-3-[6-[2,4,6-trioxo-3,5-bis[6-(3-triethoxysilylpropylcarbamoylamino)hexyl]-1,3,5-triazinan-1-yl]hexyl]urea
CID 100991329
silane;3-triethoxysilylpropylurea
CID 161180470
2-amino-N-(3-triethoxysilylpropyl)acetamide
CID 59561209
N-(3-triethoxysilylpropyl)butanamide
CID 20829613

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-[2-(methylamino)ethyl-phosphanylamino]ethylamino]ethyl]-3-(3-triethoxysilylpropyl)urea?
The IUPAC name of 1-[1-[2-[2-(methylamino)ethyl-phosphanylamino]ethylamino]ethyl]-3-(3-triethoxysilylpropyl)urea (CID 22964415) is 1-[1-[2-[2-(methylamino)ethyl-phosphanylamino]ethylamino]ethyl]-3-(3-triethoxysilylpropyl)urea.
What is the SMILES notation for 1-[1-[2-[2-(methylamino)ethyl-phosphanylamino]ethylamino]ethyl]-3-(3-triethoxysilylpropyl)urea?
The canonical SMILES for 1-[1-[2-[2-(methylamino)ethyl-phosphanylamino]ethylamino]ethyl]-3-(3-triethoxysilylpropyl)urea is CCO[Si](CCCNC(=O)NC(C)NCCN(P)CCNC)(OCC)OCC.
What is the InChIKey of 1-[1-[2-[2-(methylamino)ethyl-phosphanylamino]ethylamino]ethyl]-3-(3-triethoxysilylpropyl)urea?
The InChIKey is HAIOAWXKHZKCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H42N5O4PSi/c1-6-24-28(25-7-2,26-8-3)15-9-10-20-17(23)21-16(4)19-12-14-22(27)13-11-18-5/h16,18-19H,6-15,27H2,1-5H3,(H2,20,21,23).
What are the key properties of 1-[1-[2-[2-(methylamino)ethyl-phosphanylamino]ethylamino]ethyl]-3-(3-triethoxysilylpropyl)urea?
1-[1-[2-[2-(methylamino)ethyl-phosphanylamino]ethylamino]ethyl]-3-(3-triethoxysilylpropyl)urea has a molecular weight of 439.61 g/mol, XLogP of 0.97, 18 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-[2-(methylamino)ethyl-phosphanylamino]ethylamino]ethyl]-3-(3-triethoxysilylpropyl)urea is sourced from PubChem (CID 22964415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).