acetic acid;N'-(2-aminoethyl)-N'-(1-trimethoxysilylpropyl)ethane-1,2-diamine

C12H31N3O5Si — CID 174272810

IUPACacetic acid;N'-(2-aminoethyl)-N'-(1-trimethoxysilylpropyl)ethane-1,2-diamine
SMILESCC(=O)O.CCC(N(CCN)CCN)[Si](OC)(OC)OC
InChIInChI=1S/C10H27N3O3Si.C2H4O2/c1-5-10(13(8-6-11)9-7-12)17(14-2,15-3)16-4;1-2(3)4/h10H,5-9,11-12H2,1-4H3;1H3,(H,3,4)
InChIKeyHALUWPMHBDUKQO-UHFFFAOYSA-N
MW325.48 g/mol
LogP-0.51
Rot. Bonds10

About acetic acid;N'-(2-aminoethyl)-N'-(1-trimethoxysilylpropyl)ethane-1,2-diamine

acetic acid;N'-(2-aminoethyl)-N'-(1-trimethoxysilylpropyl)ethane-1,2-diamine (PubChem CID 174272810) has the molecular formula C12H31N3O5Si and a molecular weight of 325.48 g/mol. Its IUPAC name is acetic acid;N'-(2-aminoethyl)-N'-(1-trimethoxysilylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound Nameacetic acid;N'-(2-aminoethyl)-N'-(1-trimethoxysilylpropyl)ethane-1,2-diamine
PubChem CID174272810
Molecular FormulaC12H31N3O5Si
Molecular Weight325.48 g/mol
Exact Mass325.20
IUPAC Nameacetic acid;N'-(2-aminoethyl)-N'-(1-trimethoxysilylpropyl)ethane-1,2-diamine
SMILESCC(=O)O.CCC(N(CCN)CCN)[Si](OC)(OC)OC
InChIInChI=1S/C10H27N3O3Si.C2H4O2/c1-5-10(13(8-6-11)9-7-12)17(14-2,15-3)16-4;1-2(3)4/h10H,5-9,11-12H2,1-4H3;1H3,(H,3,4)
InChIKeyHALUWPMHBDUKQO-UHFFFAOYSA-N
XLogP-0.51
TPSA120.27 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.48
LogP ≤ 5-0.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-(2-methylpropyl)-N-(1-trimethoxysilylpropyl)propan-1-amine
CID 87686623
acetic acid;N',N'-diethylethane-1,2-diamine
CID 175226296
N,N-dimethyl-1-trimethoxysilylpropan-1-amine;silane
CID 173312185
acetic acid;2-methylbutane
CID 172862544
methyl 2-trimethoxysilylbutanoate
CID 141147304
N-(2-aminoethyl)-N-ethylacetamide
CID 23084474
acetic acid;azane;propan-1-amine
CID 22269600
2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-pentan-3-ylpropanamide
CID 107494530
acetic acid;ethane-1,2-diamine;ethoxyethane
CID 162110853
N',N'-bis(1-triethoxysilylpropyl)ethane-1,2-diamine
CID 87274302
magnesium;sodium;acetic acid;N-(2-aminoethyl)-N-ethylhydroxylamine;hydride
CID 173414651
2-[2-aminoethyl(methyl)amino]butanoic acid
CID 63654075

Frequently Asked Questions

What is the IUPAC name of acetic acid;N'-(2-aminoethyl)-N'-(1-trimethoxysilylpropyl)ethane-1,2-diamine?
The IUPAC name of acetic acid;N'-(2-aminoethyl)-N'-(1-trimethoxysilylpropyl)ethane-1,2-diamine (CID 174272810) is acetic acid;N'-(2-aminoethyl)-N'-(1-trimethoxysilylpropyl)ethane-1,2-diamine.
What is the SMILES notation for acetic acid;N'-(2-aminoethyl)-N'-(1-trimethoxysilylpropyl)ethane-1,2-diamine?
The canonical SMILES for acetic acid;N'-(2-aminoethyl)-N'-(1-trimethoxysilylpropyl)ethane-1,2-diamine is CC(=O)O.CCC(N(CCN)CCN)[Si](OC)(OC)OC.
What is the InChIKey of acetic acid;N'-(2-aminoethyl)-N'-(1-trimethoxysilylpropyl)ethane-1,2-diamine?
The InChIKey is HALUWPMHBDUKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H27N3O3Si.C2H4O2/c1-5-10(13(8-6-11)9-7-12)17(14-2,15-3)16-4;1-2(3)4/h10H,5-9,11-12H2,1-4H3;1H3,(H,3,4).
What are the key properties of acetic acid;N'-(2-aminoethyl)-N'-(1-trimethoxysilylpropyl)ethane-1,2-diamine?
acetic acid;N'-(2-aminoethyl)-N'-(1-trimethoxysilylpropyl)ethane-1,2-diamine has a molecular weight of 325.48 g/mol, XLogP of -0.51, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;N'-(2-aminoethyl)-N'-(1-trimethoxysilylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 174272810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).