sodium [2-(2-aminoethylamino)ethyl-(3-trimethoxysilylpropyl)amino]-hydroxyimino-oxidoazanium

C10H27N5NaO5Si+ — CID 136854533

IUPACsodium [2-(2-aminoethylamino)ethyl-(3-trimethoxysilylpropyl)amino]-hydroxyimino-oxidoazanium
SMILESCO[Si](CCCN(CCNCCN)[N+]([O-])=NO)(OC)OC.[Na+]
InChIInChI=1S/C10H27N5O5Si.Na/c1-18-21(19-2,20-3)10-4-8-14(15(17)13-16)9-7-12-6-5-11;/h12,16H,4-11H2,1-3H3;/q;+1
InChIKeyFXDDFVJLRIOPSL-UHFFFAOYSA-N
MW348.43 g/mol
LogP-3.62
Rot. Bonds13

About sodium [2-(2-aminoethylamino)ethyl-(3-trimethoxysilylpropyl)amino]-hydroxyimino-oxidoazanium

sodium [2-(2-aminoethylamino)ethyl-(3-trimethoxysilylpropyl)amino]-hydroxyimino-oxidoazanium (PubChem CID 136854533) has the molecular formula C10H27N5NaO5Si+ and a molecular weight of 348.43 g/mol. Its IUPAC name is sodium [2-(2-aminoethylamino)ethyl-(3-trimethoxysilylpropyl)amino]-hydroxyimino-oxidoazanium.

Molecular Properties

Compound Namesodium [2-(2-aminoethylamino)ethyl-(3-trimethoxysilylpropyl)amino]-hydroxyimino-oxidoazanium
PubChem CID136854533
Molecular FormulaC10H27N5NaO5Si+
Molecular Weight348.43 g/mol
Exact Mass348.17
IUPAC Namesodium [2-(2-aminoethylamino)ethyl-(3-trimethoxysilylpropyl)amino]-hydroxyimino-oxidoazanium
SMILESCO[Si](CCCN(CCNCCN)[N+]([O-])=NO)(OC)OC.[Na+]
InChIInChI=1S/C10H27N5O5Si.Na/c1-18-21(19-2,20-3)10-4-8-14(15(17)13-16)9-7-12-6-5-11;/h12,16H,4-11H2,1-3H3;/q;+1
InChIKeyFXDDFVJLRIOPSL-UHFFFAOYSA-N
XLogP-3.62
TPSA127.64 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 5-3.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-[3-aminopropyl-[4-(3-aminopropylamino)butyl]amino]-hydroxyimino-oxidoazanium
CID 135503538
N'-(2-aminoethyl)ethane-1,2-diamine;3-trimethoxysilylpropan-1-amine
CID 158654505
N'-[2-(3-trimethoxysilylpropylamino)ethyl]ethane-1,2-diamine
CID 159586592
N'-(8-trimethoxysilyloctyl)ethane-1,2-diamine
CID 132554515
propan-2-one;N'-(3-trimethoxysilylpropyl)ethane-1,2-diamine
CID 175097855
(Z)-[ethyl-[2-(ethylamino)ethyl]amino]-hydroxyimino-oxidoazanium
CID 135512446
N'-(3-trimethoxysilylpropyl)hexane-1,6-diamine
CID 157123454
N'-(6-trimethoxysilylhexyl)propane-1,3-diamine
CID 54277347
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,N-dimethyl-3-trimethoxysilylpropan-1-amine;3-trimethoxysilylpropan-1-amine
CID 87575509

Frequently Asked Questions

What is the IUPAC name of sodium [2-(2-aminoethylamino)ethyl-(3-trimethoxysilylpropyl)amino]-hydroxyimino-oxidoazanium?
The IUPAC name of sodium [2-(2-aminoethylamino)ethyl-(3-trimethoxysilylpropyl)amino]-hydroxyimino-oxidoazanium (CID 136854533) is sodium [2-(2-aminoethylamino)ethyl-(3-trimethoxysilylpropyl)amino]-hydroxyimino-oxidoazanium.
What is the SMILES notation for sodium [2-(2-aminoethylamino)ethyl-(3-trimethoxysilylpropyl)amino]-hydroxyimino-oxidoazanium?
The canonical SMILES for sodium [2-(2-aminoethylamino)ethyl-(3-trimethoxysilylpropyl)amino]-hydroxyimino-oxidoazanium is CO[Si](CCCN(CCNCCN)[N+]([O-])=NO)(OC)OC.[Na+].
What is the InChIKey of sodium [2-(2-aminoethylamino)ethyl-(3-trimethoxysilylpropyl)amino]-hydroxyimino-oxidoazanium?
The InChIKey is FXDDFVJLRIOPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H27N5O5Si.Na/c1-18-21(19-2,20-3)10-4-8-14(15(17)13-16)9-7-12-6-5-11;/h12,16H,4-11H2,1-3H3;/q;+1.
What are the key properties of sodium [2-(2-aminoethylamino)ethyl-(3-trimethoxysilylpropyl)amino]-hydroxyimino-oxidoazanium?
sodium [2-(2-aminoethylamino)ethyl-(3-trimethoxysilylpropyl)amino]-hydroxyimino-oxidoazanium has a molecular weight of 348.43 g/mol, XLogP of -3.62, 13 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for sodium [2-(2-aminoethylamino)ethyl-(3-trimethoxysilylpropyl)amino]-hydroxyimino-oxidoazanium is sourced from PubChem (CID 136854533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).