N-(3-trimethylsilylpropyl)octadecan-1-amine;hydrochloride

C24H54ClNSi — CID 175238930

IUPACN-(3-trimethylsilylpropyl)octadecan-1-amine;hydrochloride
SMILESCCCCCCCCCCCCCCCCCCNCCC[Si](C)(C)C.Cl
InChIInChI=1S/C24H53NSi.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25-23-21-24-26(2,3)4;/h25H,5-24H2,1-4H3;1H
InChIKeyYNCNECHZQRTGIS-UHFFFAOYSA-N
MW420.24 g/mol
LogP8.99
Rot. Bonds21

About N-(3-trimethylsilylpropyl)octadecan-1-amine;hydrochloride

N-(3-trimethylsilylpropyl)octadecan-1-amine;hydrochloride (PubChem CID 175238930) has the molecular formula C24H54ClNSi and a molecular weight of 420.24 g/mol. Its IUPAC name is N-(3-trimethylsilylpropyl)octadecan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-(3-trimethylsilylpropyl)octadecan-1-amine;hydrochloride
PubChem CID175238930
Molecular FormulaC24H54ClNSi
Molecular Weight420.24 g/mol
Exact Mass419.37
IUPAC NameN-(3-trimethylsilylpropyl)octadecan-1-amine;hydrochloride
SMILESCCCCCCCCCCCCCCCCCCNCCC[Si](C)(C)C.Cl
InChIInChI=1S/C24H53NSi.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25-23-21-24-26(2,3)4;/h25H,5-24H2,1-4H3;1H
InChIKeyYNCNECHZQRTGIS-UHFFFAOYSA-N
XLogP8.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds21
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.24
LogP ≤ 58.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

6-trimethylsilyl-N-(3-trimethylsilylpropyl)hexan-1-amine
CID 158108196
N-docosyldocosan-1-amine;hydrochloride
CID 173181498
N-hexylhexan-1-amine;hydrochloride
CID 519999
N-octylnonan-1-amine;hydrochloride
CID 90480847
N-propyl-4-trimethylsilylbutan-1-amine
CID 642556
N-hexyltridecan-1-amine
CID 87659278
octane;N-octylnonan-1-amine
CID 145152206
N-pentylpentan-1-amine;hydrochloride
CID 520044
N-undecyltetradecan-1-amine
CID 166059375
N,N'-diheptyldecane-1,10-diamine
CID 3028161
N,N'-diheptylhexane-1,6-diamine
CID 3028571
N'-(3-trimethylsilylpropyl)pentane-1,5-diamine
CID 161138133

Frequently Asked Questions

What is the IUPAC name of N-(3-trimethylsilylpropyl)octadecan-1-amine;hydrochloride?
The IUPAC name of N-(3-trimethylsilylpropyl)octadecan-1-amine;hydrochloride (CID 175238930) is N-(3-trimethylsilylpropyl)octadecan-1-amine;hydrochloride.
What is the SMILES notation for N-(3-trimethylsilylpropyl)octadecan-1-amine;hydrochloride?
The canonical SMILES for N-(3-trimethylsilylpropyl)octadecan-1-amine;hydrochloride is CCCCCCCCCCCCCCCCCCNCCC[Si](C)(C)C.Cl.
What is the InChIKey of N-(3-trimethylsilylpropyl)octadecan-1-amine;hydrochloride?
The InChIKey is YNCNECHZQRTGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H53NSi.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25-23-21-24-26(2,3)4;/h25H,5-24H2,1-4H3;1H.
What are the key properties of N-(3-trimethylsilylpropyl)octadecan-1-amine;hydrochloride?
N-(3-trimethylsilylpropyl)octadecan-1-amine;hydrochloride has a molecular weight of 420.24 g/mol, XLogP of 8.99, 21 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-trimethylsilylpropyl)octadecan-1-amine;hydrochloride is sourced from PubChem (CID 175238930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).