N-[2-(2-silyloxan-2-yl)ethyl]octadecan-1-amine

C25H53NOSi — CID 175607511

IUPACN-[2-(2-silyloxan-2-yl)ethyl]octadecan-1-amine
SMILESCCCCCCCCCCCCCCCCCCNCCC1([SiH3])CCCCO1
InChIInChI=1S/C25H53NOSi/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-22-26-23-21-25(28)20-17-19-24-27-25/h26H,2-24H2,1,28H3
InChIKeySRGASQNSIGXWTA-UHFFFAOYSA-N
MW411.79 g/mol
LogP6.49
Rot. Bonds20

About N-[2-(2-silyloxan-2-yl)ethyl]octadecan-1-amine

N-[2-(2-silyloxan-2-yl)ethyl]octadecan-1-amine (PubChem CID 175607511) has the molecular formula C25H53NOSi and a molecular weight of 411.79 g/mol. Its IUPAC name is N-[2-(2-silyloxan-2-yl)ethyl]octadecan-1-amine.

Molecular Properties

Compound NameN-[2-(2-silyloxan-2-yl)ethyl]octadecan-1-amine
PubChem CID175607511
Molecular FormulaC25H53NOSi
Molecular Weight411.79 g/mol
Exact Mass411.39
IUPAC NameN-[2-(2-silyloxan-2-yl)ethyl]octadecan-1-amine
SMILESCCCCCCCCCCCCCCCCCCNCCC1([SiH3])CCCCO1
InChIInChI=1S/C25H53NOSi/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-22-26-23-21-25(28)20-17-19-24-27-25/h26H,2-24H2,1,28H3
InChIKeySRGASQNSIGXWTA-UHFFFAOYSA-N
XLogP6.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.79
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

(2-hexyloxan-2-yl)silane
CID 123313847
palladium;(2-propyloxan-2-yl)silane
CID 174990969
[2-(octoxymethyl)oxan-2-yl]silane
CID 123215411
[2-(3-bromopropyl)oxan-2-yl]silane
CID 175443786
sulfanium;N-decyldecan-1-amine;chloride
CID 158756952
N,N'-diheptylhexane-1,6-diamine
CID 3028571
N-hexyltridecan-1-amine
CID 87659278
octane;N-octylnonan-1-amine
CID 145152206
N-undecyltetradecan-1-amine
CID 166059375
N,N'-diheptyldecane-1,10-diamine
CID 3028161
2-hexyl-2-methyloxane
CID 67835603
2-heptyl-2-(2-heptyloxan-2-yl)oxyoxane
CID 141006538

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-silyloxan-2-yl)ethyl]octadecan-1-amine?
The IUPAC name of N-[2-(2-silyloxan-2-yl)ethyl]octadecan-1-amine (CID 175607511) is N-[2-(2-silyloxan-2-yl)ethyl]octadecan-1-amine.
What is the SMILES notation for N-[2-(2-silyloxan-2-yl)ethyl]octadecan-1-amine?
The canonical SMILES for N-[2-(2-silyloxan-2-yl)ethyl]octadecan-1-amine is CCCCCCCCCCCCCCCCCCNCCC1([SiH3])CCCCO1.
What is the InChIKey of N-[2-(2-silyloxan-2-yl)ethyl]octadecan-1-amine?
The InChIKey is SRGASQNSIGXWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H53NOSi/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-22-26-23-21-25(28)20-17-19-24-27-25/h26H,2-24H2,1,28H3.
What are the key properties of N-[2-(2-silyloxan-2-yl)ethyl]octadecan-1-amine?
N-[2-(2-silyloxan-2-yl)ethyl]octadecan-1-amine has a molecular weight of 411.79 g/mol, XLogP of 6.49, 20 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-silyloxan-2-yl)ethyl]octadecan-1-amine is sourced from PubChem (CID 175607511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).