N'-[2-(3-trimethoxysilylpropylamino)ethyl]ethane-1,2-diamine

C20H54N6O6Si2 — CID 159586592

IUPACN'-[2-(3-trimethoxysilylpropylamino)ethyl]ethane-1,2-diamine
SMILESCO[Si](CCCNCCNCCN)(OC)OC.CO[Si](CCCNCCNCCN)(OC)OC
InChIInChI=1S/2C10H27N3O3Si/c2*1-14-17(15-2,16-3)10-4-6-12-8-9-13-7-5-11/h2*12-13H,4-11H2,1-3H3
InChIKeyMJRSPVBOOTUYTK-UHFFFAOYSA-N
MW530.86 g/mol
LogP-1.22
Rot. Bonds24

About N'-[2-(3-trimethoxysilylpropylamino)ethyl]ethane-1,2-diamine

N'-[2-(3-trimethoxysilylpropylamino)ethyl]ethane-1,2-diamine (PubChem CID 159586592) has the molecular formula C20H54N6O6Si2 and a molecular weight of 530.86 g/mol. Its IUPAC name is N'-[2-(3-trimethoxysilylpropylamino)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(3-trimethoxysilylpropylamino)ethyl]ethane-1,2-diamine
PubChem CID159586592
Molecular FormulaC20H54N6O6Si2
Molecular Weight530.86 g/mol
Exact Mass530.36
IUPAC NameN'-[2-(3-trimethoxysilylpropylamino)ethyl]ethane-1,2-diamine
SMILESCO[Si](CCCNCCNCCN)(OC)OC.CO[Si](CCCNCCNCCN)(OC)OC
InChIInChI=1S/2C10H27N3O3Si/c2*1-14-17(15-2,16-3)10-4-6-12-8-9-13-7-5-11/h2*12-13H,4-11H2,1-3H3
InChIKeyMJRSPVBOOTUYTK-UHFFFAOYSA-N
XLogP-1.22
TPSA155.54 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds24
Heavy Atoms34
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500530.86
LogP ≤ 5-1.22
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

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'-(8-trimethoxysilyloctyl)ethane-1,2-diamine
CID 132554515
N'-(2-aminoethyl)ethane-1,2-diamine;3-trimethoxysilylpropan-1-amine
CID 158654505
propan-2-one;N'-(3-trimethoxysilylpropyl)ethane-1,2-diamine
CID 175097855
N'-(3-trimethoxysilylpropyl)hexane-1,6-diamine
CID 157123454
N'-[2-[deuterio(3-trimethoxysilylpropyl)amino]ethyl]ethane-1,2-diamine
CID 175895895
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
N-methyl-N'-[2-[2-(3-trimethoxysilylpropylamino)ethylamino]ethyl]ethane-1,2-diamine
CID 134961256
N'-(3-trimethoxysilylpropyl)methanediamine
CID 22721317
N'-(6-trimethoxysilylhexyl)propane-1,3-diamine
CID 54277347
4-methoxy-N-(3-trimethoxysilylpropyl)butan-1-amine
CID 142739557
N'-[3-[dimethoxy(propyl)silyl]oxypropyl]ethane-1,2-diamine
CID 141429478

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3-trimethoxysilylpropylamino)ethyl]ethane-1,2-diamine?
The IUPAC name of N'-[2-(3-trimethoxysilylpropylamino)ethyl]ethane-1,2-diamine (CID 159586592) is N'-[2-(3-trimethoxysilylpropylamino)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-(3-trimethoxysilylpropylamino)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-(3-trimethoxysilylpropylamino)ethyl]ethane-1,2-diamine is CO[Si](CCCNCCNCCN)(OC)OC.CO[Si](CCCNCCNCCN)(OC)OC.
What is the InChIKey of N'-[2-(3-trimethoxysilylpropylamino)ethyl]ethane-1,2-diamine?
The InChIKey is MJRSPVBOOTUYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H27N3O3Si/c2*1-14-17(15-2,16-3)10-4-6-12-8-9-13-7-5-11/h2*12-13H,4-11H2,1-3H3.
What are the key properties of N'-[2-(3-trimethoxysilylpropylamino)ethyl]ethane-1,2-diamine?
N'-[2-(3-trimethoxysilylpropylamino)ethyl]ethane-1,2-diamine has a molecular weight of 530.86 g/mol, XLogP of -1.22, 24 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3-trimethoxysilylpropylamino)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 159586592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).