N,N-bis(1-triethoxysilylpropyl)octadecan-1-amine;hydrochloride

C36H80ClNO6Si2 — CID 173045206

IUPACN,N-bis(1-triethoxysilylpropyl)octadecan-1-amine;hydrochloride
SMILESCCCCCCCCCCCCCCCCCCN(C(CC)[Si](OCC)(OCC)OCC)C(CC)[Si](OCC)(OCC)OCC.Cl
InChIInChI=1S/C36H79NO6Si2.ClH/c1-10-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-37(35(11-2)44(38-13-4,39-14-5)40-15-6)36(12-3)45(41-16-7,42-17-8)43-18-9;/h35-36H,10-34H2,1-9H3;1H
InChIKeyAUMFPXGARDYPII-UHFFFAOYSA-N
MW714.66 g/mol
LogP10.70
Rot. Bonds35

About N,N-bis(1-triethoxysilylpropyl)octadecan-1-amine;hydrochloride

N,N-bis(1-triethoxysilylpropyl)octadecan-1-amine;hydrochloride (PubChem CID 173045206) has the molecular formula C36H80ClNO6Si2 and a molecular weight of 714.66 g/mol. Its IUPAC name is N,N-bis(1-triethoxysilylpropyl)octadecan-1-amine;hydrochloride.

Molecular Properties

Compound NameN,N-bis(1-triethoxysilylpropyl)octadecan-1-amine;hydrochloride
PubChem CID173045206
Molecular FormulaC36H80ClNO6Si2
Molecular Weight714.66 g/mol
Exact Mass713.52
IUPAC NameN,N-bis(1-triethoxysilylpropyl)octadecan-1-amine;hydrochloride
SMILESCCCCCCCCCCCCCCCCCCN(C(CC)[Si](OCC)(OCC)OCC)C(CC)[Si](OCC)(OCC)OCC.Cl
InChIInChI=1S/C36H79NO6Si2.ClH/c1-10-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-37(35(11-2)44(38-13-4,39-14-5)40-15-6)36(12-3)45(41-16-7,42-17-8)43-18-9;/h35-36H,10-34H2,1-9H3;1H
InChIKeyAUMFPXGARDYPII-UHFFFAOYSA-N
XLogP10.70
TPSA58.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds35
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.66
LogP ≤ 510.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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',N'-bis(1-triethoxysilylpropyl)ethane-1,2-diamine
CID 87274302
N,N-dimethyl-1-triethoxysilylhexan-1-amine
CID 89262216
N,N-di(propan-2-yl)heptadecan-1-amine
CID 138744995
trihexyl(1-triethoxysilylpropyl)azanium
CID 57211677
2-triethoxysilyldodecanal
CID 162716787
1-triethoxysilyldecan-1-amine
CID 87463354
octadecyl(1-triethoxysilylpropyl)azanium chloride
CID 141004157
N-tert-butyl-N-hexadecylhexadecan-1-amine;hydrochloride
CID 173228720
ethoxy-(ethoxy-hexyl-methylsilyl)-hexyl-methylsilane
CID 11110794
N,N-dioctadecyloctadecan-1-amine;hydrochloride
CID 45050162
tributyl(1-triethoxysilylpropyl)phosphanium
CID 22910406
1-(dioctadecylamino)propan-1-ol;hydrochloride
CID 173142418

Frequently Asked Questions

What is the IUPAC name of N,N-bis(1-triethoxysilylpropyl)octadecan-1-amine;hydrochloride?
The IUPAC name of N,N-bis(1-triethoxysilylpropyl)octadecan-1-amine;hydrochloride (CID 173045206) is N,N-bis(1-triethoxysilylpropyl)octadecan-1-amine;hydrochloride.
What is the SMILES notation for N,N-bis(1-triethoxysilylpropyl)octadecan-1-amine;hydrochloride?
The canonical SMILES for N,N-bis(1-triethoxysilylpropyl)octadecan-1-amine;hydrochloride is CCCCCCCCCCCCCCCCCCN(C(CC)[Si](OCC)(OCC)OCC)C(CC)[Si](OCC)(OCC)OCC.Cl.
What is the InChIKey of N,N-bis(1-triethoxysilylpropyl)octadecan-1-amine;hydrochloride?
The InChIKey is AUMFPXGARDYPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H79NO6Si2.ClH/c1-10-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-37(35(11-2)44(38-13-4,39-14-5)40-15-6)36(12-3)45(41-16-7,42-17-8)43-18-9;/h35-36H,10-34H2,1-9H3;1H.
What are the key properties of N,N-bis(1-triethoxysilylpropyl)octadecan-1-amine;hydrochloride?
N,N-bis(1-triethoxysilylpropyl)octadecan-1-amine;hydrochloride has a molecular weight of 714.66 g/mol, XLogP of 10.70, 35 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(1-triethoxysilylpropyl)octadecan-1-amine;hydrochloride is sourced from PubChem (CID 173045206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).