1-[2-(methylamino)ethyl]-3-(3-trimethoxysilylpropyl)urea

C10H25N3O4Si — CID 58846540

IUPAC1-[2-(methylamino)ethyl]-3-(3-trimethoxysilylpropyl)urea
SMILESCNCCNC(=O)NCCC[Si](OC)(OC)OC
InChIInChI=1S/C10H25N3O4Si/c1-11-7-8-13-10(14)12-6-5-9-18(15-2,16-3)17-4/h11H,5-9H2,1-4H3,(H2,12,13,14)
InChIKeyKPGJKTILOZFTPJ-UHFFFAOYSA-N
MW279.41 g/mol
LogP-0.23
Rot. Bonds10

About 1-[2-(methylamino)ethyl]-3-(3-trimethoxysilylpropyl)urea

1-[2-(methylamino)ethyl]-3-(3-trimethoxysilylpropyl)urea (PubChem CID 58846540) has the molecular formula C10H25N3O4Si and a molecular weight of 279.41 g/mol. Its IUPAC name is 1-[2-(methylamino)ethyl]-3-(3-trimethoxysilylpropyl)urea.

Molecular Properties

Compound Name1-[2-(methylamino)ethyl]-3-(3-trimethoxysilylpropyl)urea
PubChem CID58846540
Molecular FormulaC10H25N3O4Si
Molecular Weight279.41 g/mol
Exact Mass279.16
IUPAC Name1-[2-(methylamino)ethyl]-3-(3-trimethoxysilylpropyl)urea
SMILESCNCCNC(=O)NCCC[Si](OC)(OC)OC
InChIInChI=1S/C10H25N3O4Si/c1-11-7-8-13-10(14)12-6-5-9-18(15-2,16-3)17-4/h11H,5-9H2,1-4H3,(H2,12,13,14)
InChIKeyKPGJKTILOZFTPJ-UHFFFAOYSA-N
XLogP-0.23
TPSA80.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

N,N'-bis(3-trimethoxysilylpropyl)oxamide
CID 122383973
N-methyl-N'-[2-[2-(3-trimethoxysilylpropylamino)ethylamino]ethyl]ethane-1,2-diamine
CID 134961256
3-(3-trimethoxysilylpropyl)-1,1-bis[2-(3-trimethoxysilylpropylcarbamoylamino)ethyl]urea
CID 20743189
3-methylsulfanyl-N-[2-(3-trimethoxysilylpropylcarbamoylamino)ethyl]propanamide
CID 58903441
N-(3-trimethoxysilylpropyl)carbamate
CID 19019611
2-methoxy-N-(3-trimethoxysilylpropyl)acetamide
CID 102479159
1-(2,3,4,5,6-pentafluorophenyl)-3-(3-trimethoxysilylpropyl)urea
CID 90174028
4-trimethoxysilylbutylcarbamic acid
CID 18755644
1-methyl-3-[2-(methylamino)ethyl]urea
CID 22381232
1-(3-triethoxysilylpropyl)-3-[6-(3-triethoxysilylpropylcarbamoylamino)hexyl]urea
CID 87657796
2-acetamido-N-(3-trimethoxysilylpropyl)acetamide
CID 87064791
4,4,4-trichloro-3-hydroxy-3-methyl-N-(3-trimethoxysilylpropyl)butanamide
CID 142604452

Frequently Asked Questions

What is the IUPAC name of 1-[2-(methylamino)ethyl]-3-(3-trimethoxysilylpropyl)urea?
The IUPAC name of 1-[2-(methylamino)ethyl]-3-(3-trimethoxysilylpropyl)urea (CID 58846540) is 1-[2-(methylamino)ethyl]-3-(3-trimethoxysilylpropyl)urea.
What is the SMILES notation for 1-[2-(methylamino)ethyl]-3-(3-trimethoxysilylpropyl)urea?
The canonical SMILES for 1-[2-(methylamino)ethyl]-3-(3-trimethoxysilylpropyl)urea is CNCCNC(=O)NCCC[Si](OC)(OC)OC.
What is the InChIKey of 1-[2-(methylamino)ethyl]-3-(3-trimethoxysilylpropyl)urea?
The InChIKey is KPGJKTILOZFTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H25N3O4Si/c1-11-7-8-13-10(14)12-6-5-9-18(15-2,16-3)17-4/h11H,5-9H2,1-4H3,(H2,12,13,14).
What are the key properties of 1-[2-(methylamino)ethyl]-3-(3-trimethoxysilylpropyl)urea?
1-[2-(methylamino)ethyl]-3-(3-trimethoxysilylpropyl)urea has a molecular weight of 279.41 g/mol, XLogP of -0.23, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methylamino)ethyl]-3-(3-trimethoxysilylpropyl)urea is sourced from PubChem (CID 58846540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).