carbamimidoyl(3-trimethoxysilylpropyl)azanium chloride

C7H20ClN3O3Si — CID 18790347

IUPACcarbamimidoyl(3-trimethoxysilylpropyl)azanium chloride
SMILES[Cl-].[H]/N=C(\N)[NH2+]CCC[Si](OC)(OC)OC
InChIInChI=1S/C7H19N3O3Si.ClH/c1-11-14(12-2,13-3)6-4-5-10-7(8)9;/h4-6H2,1-3H3,(H4,8,9,10);1H
InChIKeyOUZZDBXLRLICJA-UHFFFAOYSA-N
MW257.79 g/mol
LogP-4.28
Rot. Bonds7

About carbamimidoyl(3-trimethoxysilylpropyl)azanium chloride

carbamimidoyl(3-trimethoxysilylpropyl)azanium chloride (PubChem CID 18790347) has the molecular formula C7H20ClN3O3Si and a molecular weight of 257.79 g/mol. Its IUPAC name is carbamimidoyl(3-trimethoxysilylpropyl)azanium chloride.

Molecular Properties

Compound Namecarbamimidoyl(3-trimethoxysilylpropyl)azanium chloride
PubChem CID18790347
Molecular FormulaC7H20ClN3O3Si
Molecular Weight257.79 g/mol
Exact Mass257.10
IUPAC Namecarbamimidoyl(3-trimethoxysilylpropyl)azanium chloride
SMILES[Cl-].[H]/N=C(\N)[NH2+]CCC[Si](OC)(OC)OC
InChIInChI=1S/C7H19N3O3Si.ClH/c1-11-14(12-2,13-3)6-4-5-10-7(8)9;/h4-6H2,1-3H3,(H4,8,9,10);1H
InChIKeyOUZZDBXLRLICJA-UHFFFAOYSA-N
XLogP-4.28
TPSA94.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.79
LogP ≤ 5-4.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

carbamimidoyl(octyl)azanium chloride
CID 86595494
3-trimethoxysilylpropylazanium chloride
CID 11390286
ethane;methanol;bis(3-trimethoxysilylpropan-1-amine)
CID 158708863
methanol;3-trimethoxysilylpropan-1-amine;hydrochloride
CID 174963553
4-trimethoxysilylbutanehydrazide
CID 12002198
hydroxy-dimethyl-(5-trimethoxysilylpentyl)azanium chloride
CID 87380742
[amino(3-trimethoxysilylpropylsulfanyl)methylidene]azanium
CID 101376195
bis(oxygen(2-));titanium(4+);3-trimethoxysilylpropan-1-amine
CID 161482517
36-trimethoxysilylhexatriacontan-1-amine
CID 87680936
33-trimethoxysilyltritriacontan-1-amine
CID 87686996
N-(4-iminopentyl)-6-trimethoxysilylhexan-1-amine
CID 123500483
methanolate;bis(trimethyl(3-trimethoxysilylpropyl)azanium);chloride
CID 156778994

Frequently Asked Questions

What is the IUPAC name of carbamimidoyl(3-trimethoxysilylpropyl)azanium chloride?
The IUPAC name of carbamimidoyl(3-trimethoxysilylpropyl)azanium chloride (CID 18790347) is carbamimidoyl(3-trimethoxysilylpropyl)azanium chloride.
What is the SMILES notation for carbamimidoyl(3-trimethoxysilylpropyl)azanium chloride?
The canonical SMILES for carbamimidoyl(3-trimethoxysilylpropyl)azanium chloride is [Cl-].[H]/N=C(\N)[NH2+]CCC[Si](OC)(OC)OC.
What is the InChIKey of carbamimidoyl(3-trimethoxysilylpropyl)azanium chloride?
The InChIKey is OUZZDBXLRLICJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H19N3O3Si.ClH/c1-11-14(12-2,13-3)6-4-5-10-7(8)9;/h4-6H2,1-3H3,(H4,8,9,10);1H.
What are the key properties of carbamimidoyl(3-trimethoxysilylpropyl)azanium chloride?
carbamimidoyl(3-trimethoxysilylpropyl)azanium chloride has a molecular weight of 257.79 g/mol, XLogP of -4.28, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbamimidoyl(3-trimethoxysilylpropyl)azanium chloride is sourced from PubChem (CID 18790347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).