N-propyl-N-trimethoxysilyloctadecan-1-amine;hydrochloride

C24H54ClNO3Si — CID 173034322

IUPACN-propyl-N-trimethoxysilyloctadecan-1-amine;hydrochloride
SMILESCCCCCCCCCCCCCCCCCCN(CCC)[Si](OC)(OC)OC.Cl
InChIInChI=1S/C24H53NO3Si.ClH/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-25(23-7-2)29(26-3,27-4)28-5;/h6-24H2,1-5H3;1H
InChIKeyVYCHOLOKEDPSOH-UHFFFAOYSA-N
MW468.24 g/mol
LogP7.76
Rot. Bonds23

About N-propyl-N-trimethoxysilyloctadecan-1-amine;hydrochloride

N-propyl-N-trimethoxysilyloctadecan-1-amine;hydrochloride (PubChem CID 173034322) has the molecular formula C24H54ClNO3Si and a molecular weight of 468.24 g/mol. Its IUPAC name is N-propyl-N-trimethoxysilyloctadecan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-propyl-N-trimethoxysilyloctadecan-1-amine;hydrochloride
PubChem CID173034322
Molecular FormulaC24H54ClNO3Si
Molecular Weight468.24 g/mol
Exact Mass467.36
IUPAC NameN-propyl-N-trimethoxysilyloctadecan-1-amine;hydrochloride
SMILESCCCCCCCCCCCCCCCCCCN(CCC)[Si](OC)(OC)OC.Cl
InChIInChI=1S/C24H53NO3Si.ClH/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-25(23-7-2)29(26-3,27-4)28-5;/h6-24H2,1-5H3;1H
InChIKeyVYCHOLOKEDPSOH-UHFFFAOYSA-N
XLogP7.76
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds23
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.24
LogP ≤ 57.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

(Z)-N-propyl-N-trimethoxysilyloctadec-9-en-1-amine;hydrochloride
CID 173241581
N-[(dihexylamino)-dimethoxysilyl]-N-hexylhexan-1-amine
CID 139816206
N-[(dipentylamino)-dimethoxysilyl]-N-pentylpentan-1-amine
CID 139816210
N-[dimethoxy(propyl)silyl]-N-octyloctan-1-amine
CID 54243095
N-propyl-N-triethoxysilylbutan-1-amine
CID 175342889
N'-[2-[propyl(trimethoxysilyl)amino]ethyl]ethane-1,2-diamine
CID 53446485
N-[dimethoxy(2-methylpropyl)silyl]-N-hexylhexan-1-amine
CID 142705863
N-propyl-N-triethoxysilyl-3-trimethoxysilylpropan-1-amine
CID 87547282
N,N-dioctadecyloctadecan-1-amine;hydrochloride
CID 45050162
N,N-bis[(dipropylamino)-dimethylsilyl]pentan-1-amine
CID 156755975
N-ethoxy-N-methyloctan-1-amine;hydrochloride
CID 174762687
methoxymethane;undecane
CID 174775722

Frequently Asked Questions

What is the IUPAC name of N-propyl-N-trimethoxysilyloctadecan-1-amine;hydrochloride?
The IUPAC name of N-propyl-N-trimethoxysilyloctadecan-1-amine;hydrochloride (CID 173034322) is N-propyl-N-trimethoxysilyloctadecan-1-amine;hydrochloride.
What is the SMILES notation for N-propyl-N-trimethoxysilyloctadecan-1-amine;hydrochloride?
The canonical SMILES for N-propyl-N-trimethoxysilyloctadecan-1-amine;hydrochloride is CCCCCCCCCCCCCCCCCCN(CCC)[Si](OC)(OC)OC.Cl.
What is the InChIKey of N-propyl-N-trimethoxysilyloctadecan-1-amine;hydrochloride?
The InChIKey is VYCHOLOKEDPSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H53NO3Si.ClH/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-25(23-7-2)29(26-3,27-4)28-5;/h6-24H2,1-5H3;1H.
What are the key properties of N-propyl-N-trimethoxysilyloctadecan-1-amine;hydrochloride?
N-propyl-N-trimethoxysilyloctadecan-1-amine;hydrochloride has a molecular weight of 468.24 g/mol, XLogP of 7.76, 23 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N-trimethoxysilyloctadecan-1-amine;hydrochloride is sourced from PubChem (CID 173034322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).