14-dodecoxy-1-[hexadecoxy(2-methylpropyl)silyl]oxytetradecan-3-amine

C46H97NO3Si — CID 173496877

IUPAC14-dodecoxy-1-[hexadecoxy(2-methylpropyl)silyl]oxytetradecan-3-amine
SMILESCCCCCCCCCCCCCCCCO[SiH](CC(C)C)OCCC(N)CCCCCCCCCCCOCCCCCCCCCCCC
InChIInChI=1S/C46H97NO3Si/c1-5-7-9-11-13-15-17-18-19-20-25-29-33-37-42-49-51(44-45(3)4)50-43-39-46(47)38-34-30-26-22-21-24-28-32-36-41-48-40-35-31-27-23-16-14-12-10-8-6-2/h45-46,51H,5-44,47H2,1-4H3
InChIKeyMRPGGQRPTBGQPH-UHFFFAOYSA-N
MW740.37 g/mol
LogP14.93
Rot. Bonds45

About 14-dodecoxy-1-[hexadecoxy(2-methylpropyl)silyl]oxytetradecan-3-amine

14-dodecoxy-1-[hexadecoxy(2-methylpropyl)silyl]oxytetradecan-3-amine (PubChem CID 173496877) has the molecular formula C46H97NO3Si and a molecular weight of 740.37 g/mol. Its IUPAC name is 14-dodecoxy-1-[hexadecoxy(2-methylpropyl)silyl]oxytetradecan-3-amine.

Molecular Properties

Compound Name14-dodecoxy-1-[hexadecoxy(2-methylpropyl)silyl]oxytetradecan-3-amine
PubChem CID173496877
Molecular FormulaC46H97NO3Si
Molecular Weight740.37 g/mol
Exact Mass739.72
IUPAC Name14-dodecoxy-1-[hexadecoxy(2-methylpropyl)silyl]oxytetradecan-3-amine
SMILESCCCCCCCCCCCCCCCCO[SiH](CC(C)C)OCCC(N)CCCCCCCCCCCOCCCCCCCCCCCC
InChIInChI=1S/C46H97NO3Si/c1-5-7-9-11-13-15-17-18-19-20-25-29-33-37-42-49-51(44-45(3)4)50-43-39-46(47)38-34-30-26-22-21-24-28-32-36-41-48-40-35-31-27-23-16-14-12-10-8-6-2/h45-46,51H,5-44,47H2,1-4H3
InChIKeyMRPGGQRPTBGQPH-UHFFFAOYSA-N
XLogP14.93
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds45
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.37
LogP ≤ 514.93
H-Bond Donors ≤ 51
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

1-(3-aminoundecoxy)undecan-3-amine
CID 141300494
1-(3-aminoheptadecoxy)heptadecan-3-amine
CID 141308840
1-ethoxynonan-4-amine
CID 105129941
butoxy-methoxy-(2-methylpropyl)silane
CID 154072679
5-octoxypentane-1,2-diamine
CID 20527044
pentacosan-7-amine
CID 88938409
nonapentacontan-30-amine
CID 118952570
1-[2-(3-methylbutoxy)ethoxy]tetradecane
CID 59344673
2-hexyl-6-(8-methylnonoxy)hexane-1,3-diamine
CID 142621085
1-[2-(2-butoxyethoxy)ethoxy]hexan-3-amine
CID 104568410
henicosane-8,14-diamine;dihydrochloride
CID 170909168
octadecan-9-amine;hydrochloride
CID 19002510

Frequently Asked Questions

What is the IUPAC name of 14-dodecoxy-1-[hexadecoxy(2-methylpropyl)silyl]oxytetradecan-3-amine?
The IUPAC name of 14-dodecoxy-1-[hexadecoxy(2-methylpropyl)silyl]oxytetradecan-3-amine (CID 173496877) is 14-dodecoxy-1-[hexadecoxy(2-methylpropyl)silyl]oxytetradecan-3-amine.
What is the SMILES notation for 14-dodecoxy-1-[hexadecoxy(2-methylpropyl)silyl]oxytetradecan-3-amine?
The canonical SMILES for 14-dodecoxy-1-[hexadecoxy(2-methylpropyl)silyl]oxytetradecan-3-amine is CCCCCCCCCCCCCCCCO[SiH](CC(C)C)OCCC(N)CCCCCCCCCCCOCCCCCCCCCCCC.
What is the InChIKey of 14-dodecoxy-1-[hexadecoxy(2-methylpropyl)silyl]oxytetradecan-3-amine?
The InChIKey is MRPGGQRPTBGQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H97NO3Si/c1-5-7-9-11-13-15-17-18-19-20-25-29-33-37-42-49-51(44-45(3)4)50-43-39-46(47)38-34-30-26-22-21-24-28-32-36-41-48-40-35-31-27-23-16-14-12-10-8-6-2/h45-46,51H,5-44,47H2,1-4H3.
What are the key properties of 14-dodecoxy-1-[hexadecoxy(2-methylpropyl)silyl]oxytetradecan-3-amine?
14-dodecoxy-1-[hexadecoxy(2-methylpropyl)silyl]oxytetradecan-3-amine has a molecular weight of 740.37 g/mol, XLogP of 14.93, 45 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 14-dodecoxy-1-[hexadecoxy(2-methylpropyl)silyl]oxytetradecan-3-amine is sourced from PubChem (CID 173496877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).