N'-[2-[deuterio(3-trimethoxysilylpropyl)amino]ethyl]ethane-1,2-diamine

C10H27N3O3Si — CID 175895895

IUPACN'-[2-[deuterio(3-trimethoxysilylpropyl)amino]ethyl]ethane-1,2-diamine
SMILES[2H]N(CCC[Si](OC)(OC)OC)CCNCCN
InChIInChI=1S/C10H27N3O3Si/c1-14-17(15-2,16-3)10-4-6-12-8-9-13-7-5-11/h12-13H,4-11H2,1-3H3/i/hD
InChIKeyNHBRUUFBSBSTHM-DYCDLGHISA-N
MW266.44 g/mol
LogP-0.61
Rot. Bonds12

About N'-[2-[deuterio(3-trimethoxysilylpropyl)amino]ethyl]ethane-1,2-diamine

N'-[2-[deuterio(3-trimethoxysilylpropyl)amino]ethyl]ethane-1,2-diamine (PubChem CID 175895895) has the molecular formula C10H27N3O3Si and a molecular weight of 266.44 g/mol. Its IUPAC name is N'-[2-[deuterio(3-trimethoxysilylpropyl)amino]ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-[deuterio(3-trimethoxysilylpropyl)amino]ethyl]ethane-1,2-diamine
PubChem CID175895895
Molecular FormulaC10H27N3O3Si
Molecular Weight266.44 g/mol
Exact Mass266.19
IUPAC NameN'-[2-[deuterio(3-trimethoxysilylpropyl)amino]ethyl]ethane-1,2-diamine
SMILES[2H]N(CCC[Si](OC)(OC)OC)CCNCCN
InChIInChI=1S/C10H27N3O3Si/c1-14-17(15-2,16-3)10-4-6-12-8-9-13-7-5-11/h12-13H,4-11H2,1-3H3/i/hD
InChIKeyNHBRUUFBSBSTHM-DYCDLGHISA-N
XLogP-0.61
TPSA77.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.44
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
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
N'-(2-aminoethyl)ethane-1,2-diamine;3-trimethoxysilylpropan-1-amine
CID 158654505
N'-(3-triethoxysilylpropyl)ethane-1,2-diamine;N'-(3-trimethoxysilylpropyl)ethane-1,2-diamine
CID 87775603
N'-(8-trimethoxysilyloctyl)ethane-1,2-diamine
CID 132554515
propan-2-one;N'-(3-trimethoxysilylpropyl)ethane-1,2-diamine
CID 175097855
N'-(3-trimethoxysilylpropyl)hexane-1,6-diamine
CID 157123454
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
N'-[2-[[[2-(2-aminoethylamino)ethyl-[[dimethoxy(propyl)silyl]oxy-methoxy-propylsilyl]oxy-methoxysilyl]oxy-methoxy-propylsilyl]oxy-[dimethoxy(propyl)silyl]oxy-methoxysilyl]ethyl]ethane-1,2-diamine
CID 123991362
N'-[3-[dimethoxy(propyl)silyl]oxypropyl]ethane-1,2-diamine
CID 141429478

Frequently Asked Questions

What is the IUPAC name of N'-[2-[deuterio(3-trimethoxysilylpropyl)amino]ethyl]ethane-1,2-diamine?
The IUPAC name of N'-[2-[deuterio(3-trimethoxysilylpropyl)amino]ethyl]ethane-1,2-diamine (CID 175895895) is N'-[2-[deuterio(3-trimethoxysilylpropyl)amino]ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-[deuterio(3-trimethoxysilylpropyl)amino]ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-[deuterio(3-trimethoxysilylpropyl)amino]ethyl]ethane-1,2-diamine is [2H]N(CCC[Si](OC)(OC)OC)CCNCCN.
What is the InChIKey of N'-[2-[deuterio(3-trimethoxysilylpropyl)amino]ethyl]ethane-1,2-diamine?
The InChIKey is NHBRUUFBSBSTHM-DYCDLGHISA-N. The full InChI is InChI=1S/C10H27N3O3Si/c1-14-17(15-2,16-3)10-4-6-12-8-9-13-7-5-11/h12-13H,4-11H2,1-3H3/i/hD.
What are the key properties of N'-[2-[deuterio(3-trimethoxysilylpropyl)amino]ethyl]ethane-1,2-diamine?
N'-[2-[deuterio(3-trimethoxysilylpropyl)amino]ethyl]ethane-1,2-diamine has a molecular weight of 266.44 g/mol, XLogP of -0.61, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[deuterio(3-trimethoxysilylpropyl)amino]ethyl]ethane-1,2-diamine is sourced from PubChem (CID 175895895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).