propan-2-one;N'-(3-trimethoxysilylpropyl)ethane-1,2-diamine

C11H28N2O4Si — CID 175097855

IUPACpropan-2-one;N'-(3-trimethoxysilylpropyl)ethane-1,2-diamine
SMILESCC(C)=O.CO[Si](CCCNCCN)(OC)OC
InChIInChI=1S/C8H22N2O3Si.C3H6O/c1-11-14(12-2,13-3)8-4-6-10-7-5-9;1-3(2)4/h10H,4-9H2,1-3H3;1-2H3
InChIKeyWQPRKMSBHQPMOU-UHFFFAOYSA-N
MW280.44 g/mol
LogP0.40
Rot. Bonds9

About propan-2-one;N'-(3-trimethoxysilylpropyl)ethane-1,2-diamine

propan-2-one;N'-(3-trimethoxysilylpropyl)ethane-1,2-diamine (PubChem CID 175097855) has the molecular formula C11H28N2O4Si and a molecular weight of 280.44 g/mol. Its IUPAC name is propan-2-one;N'-(3-trimethoxysilylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound Namepropan-2-one;N'-(3-trimethoxysilylpropyl)ethane-1,2-diamine
PubChem CID175097855
Molecular FormulaC11H28N2O4Si
Molecular Weight280.44 g/mol
Exact Mass280.18
IUPAC Namepropan-2-one;N'-(3-trimethoxysilylpropyl)ethane-1,2-diamine
SMILESCC(C)=O.CO[Si](CCCNCCN)(OC)OC
InChIInChI=1S/C8H22N2O3Si.C3H6O/c1-11-14(12-2,13-3)8-4-6-10-7-5-9;1-3(2)4/h10H,4-9H2,1-3H3;1-2H3
InChIKeyWQPRKMSBHQPMOU-UHFFFAOYSA-N
XLogP0.40
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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'-[2-(3-trimethoxysilylpropylamino)ethyl]ethane-1,2-diamine
CID 159586592
[diacetyloxy-[3-(2-aminoethylamino)propyl]silyl] acetate
CID 22457230
N'-(8-trimethoxysilyloctyl)ethane-1,2-diamine
CID 132554515
N'-(2-aminoethyl)ethane-1,2-diamine;3-trimethoxysilylpropan-1-amine
CID 158654505
N'-(3-trimethoxysilylpropyl)hexane-1,6-diamine
CID 157123454
N'-(3-triethoxysilylpropyl)ethane-1,2-diamine;N'-(3-trimethoxysilylpropyl)ethane-1,2-diamine
CID 87775603
molecular hydrogen;3-trimethoxysilyl-N-(3-trimethoxysilylpropyl)propan-1-amine
CID 160982698
[acetyloxy-[3-(2-aminoethylamino)propyl]-methylsilyl] acetate
CID 87568873
N'-(3-trimethoxysilylpropyl)methanediamine
CID 22721317
N'-(6-trimethoxysilylhexyl)propane-1,3-diamine
CID 54277347
N'-(3-trimethoxysilylpropyl)ethane-1,2-diamine;1-trimethoxysilylpropyl 2-methylprop-2-enoate
CID 87214353
N'-[2-[deuterio(3-trimethoxysilylpropyl)amino]ethyl]ethane-1,2-diamine
CID 175895895

Frequently Asked Questions

What is the IUPAC name of propan-2-one;N'-(3-trimethoxysilylpropyl)ethane-1,2-diamine?
The IUPAC name of propan-2-one;N'-(3-trimethoxysilylpropyl)ethane-1,2-diamine (CID 175097855) is propan-2-one;N'-(3-trimethoxysilylpropyl)ethane-1,2-diamine.
What is the SMILES notation for propan-2-one;N'-(3-trimethoxysilylpropyl)ethane-1,2-diamine?
The canonical SMILES for propan-2-one;N'-(3-trimethoxysilylpropyl)ethane-1,2-diamine is CC(C)=O.CO[Si](CCCNCCN)(OC)OC.
What is the InChIKey of propan-2-one;N'-(3-trimethoxysilylpropyl)ethane-1,2-diamine?
The InChIKey is WQPRKMSBHQPMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H22N2O3Si.C3H6O/c1-11-14(12-2,13-3)8-4-6-10-7-5-9;1-3(2)4/h10H,4-9H2,1-3H3;1-2H3.
What are the key properties of propan-2-one;N'-(3-trimethoxysilylpropyl)ethane-1,2-diamine?
propan-2-one;N'-(3-trimethoxysilylpropyl)ethane-1,2-diamine has a molecular weight of 280.44 g/mol, XLogP of 0.40, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-one;N'-(3-trimethoxysilylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 175097855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).