N-(1-dimethoxysilylpropyl)-N-octyloctan-1-amine

C21H47NO2Si — CID 173031942

IUPACN-(1-dimethoxysilylpropyl)-N-octyloctan-1-amine
SMILESCCCCCCCCN(CCCCCCCC)C(CC)[SiH](OC)OC
InChIInChI=1S/C21H47NO2Si/c1-6-9-11-13-15-17-19-22(20-18-16-14-12-10-7-2)21(8-3)25(23-4)24-5/h21,25H,6-20H2,1-5H3
InChIKeyJHFOSQXCLAQNRI-UHFFFAOYSA-N
MW373.70 g/mol
LogP5.84
Rot. Bonds19

About N-(1-dimethoxysilylpropyl)-N-octyloctan-1-amine

N-(1-dimethoxysilylpropyl)-N-octyloctan-1-amine (PubChem CID 173031942) has the molecular formula C21H47NO2Si and a molecular weight of 373.70 g/mol. Its IUPAC name is N-(1-dimethoxysilylpropyl)-N-octyloctan-1-amine.

Molecular Properties

Compound NameN-(1-dimethoxysilylpropyl)-N-octyloctan-1-amine
PubChem CID173031942
Molecular FormulaC21H47NO2Si
Molecular Weight373.70 g/mol
Exact Mass373.34
IUPAC NameN-(1-dimethoxysilylpropyl)-N-octyloctan-1-amine
SMILESCCCCCCCCN(CCCCCCCC)C(CC)[SiH](OC)OC
InChIInChI=1S/C21H47NO2Si/c1-6-9-11-13-15-17-19-22(20-18-16-14-12-10-7-2)21(8-3)25(23-4)24-5/h21,25H,6-20H2,1-5H3
InChIKeyJHFOSQXCLAQNRI-UHFFFAOYSA-N
XLogP5.84
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.70
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-octyl-N-(1-phosphanylethyl)octan-1-amine
CID 21437049
1-[di(nonadecyl)amino]propan-1-ol
CID 87359207
N-dodecyl-N-propan-2-yltetradecan-1-amine
CID 87516029
dimethoxy(tridecan-2-yl)silane
CID 174991319
1-(dioctadecylamino)propan-1-ol;hydrochloride
CID 173142418
1-N,1-N,1-N',1-N'-tetrakis-decyldecane-1,1-diamine
CID 152588936
6-[6,6-bis(dioctylamino)hexoxy]-1-N,1-N,1-N',1-N'-tetraoctylhexane-1,1-diamine
CID 173349430
N'-heptyl-N'-pentan-3-ylethane-1,2-diamine
CID 63760495
N-(2-chloroethyl)-N-pentan-3-ylheptan-1-amine
CID 55184405
N-(2-methoxyethyl)-N-nonylnonan-1-amine
CID 6426107
N-dodecyl-N-(2-methoxyethyl)dodecan-1-amine
CID 167224233
methoxymethane;undecane
CID 174775722

Frequently Asked Questions

What is the IUPAC name of N-(1-dimethoxysilylpropyl)-N-octyloctan-1-amine?
The IUPAC name of N-(1-dimethoxysilylpropyl)-N-octyloctan-1-amine (CID 173031942) is N-(1-dimethoxysilylpropyl)-N-octyloctan-1-amine.
What is the SMILES notation for N-(1-dimethoxysilylpropyl)-N-octyloctan-1-amine?
The canonical SMILES for N-(1-dimethoxysilylpropyl)-N-octyloctan-1-amine is CCCCCCCCN(CCCCCCCC)C(CC)[SiH](OC)OC.
What is the InChIKey of N-(1-dimethoxysilylpropyl)-N-octyloctan-1-amine?
The InChIKey is JHFOSQXCLAQNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H47NO2Si/c1-6-9-11-13-15-17-19-22(20-18-16-14-12-10-7-2)21(8-3)25(23-4)24-5/h21,25H,6-20H2,1-5H3.
What are the key properties of N-(1-dimethoxysilylpropyl)-N-octyloctan-1-amine?
N-(1-dimethoxysilylpropyl)-N-octyloctan-1-amine has a molecular weight of 373.70 g/mol, XLogP of 5.84, 19 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-dimethoxysilylpropyl)-N-octyloctan-1-amine is sourced from PubChem (CID 173031942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).