N-[4-[ethoxy(diethyl)silyl]oxypentyl]aniline

C17H31NO2Si — CID 175181392

IUPACN-[4-[ethoxy(diethyl)silyl]oxypentyl]aniline
SMILESCCO[Si](CC)(CC)OC(C)CCCNc1ccccc1
InChIInChI=1S/C17H31NO2Si/c1-5-19-21(6-2,7-3)20-16(4)12-11-15-18-17-13-9-8-10-14-17/h8-10,13-14,16,18H,5-7,11-12,15H2,1-4H3
InChIKeyBYNURUBQIHJHBP-UHFFFAOYSA-N
MW309.53 g/mol
LogP4.80
Rot. Bonds11

About N-[4-[ethoxy(diethyl)silyl]oxypentyl]aniline

N-[4-[ethoxy(diethyl)silyl]oxypentyl]aniline (PubChem CID 175181392) has the molecular formula C17H31NO2Si and a molecular weight of 309.53 g/mol. Its IUPAC name is N-[4-[ethoxy(diethyl)silyl]oxypentyl]aniline.

Molecular Properties

Compound NameN-[4-[ethoxy(diethyl)silyl]oxypentyl]aniline
PubChem CID175181392
Molecular FormulaC17H31NO2Si
Molecular Weight309.53 g/mol
Exact Mass309.21
IUPAC NameN-[4-[ethoxy(diethyl)silyl]oxypentyl]aniline
SMILESCCO[Si](CC)(CC)OC(C)CCCNc1ccccc1
InChIInChI=1S/C17H31NO2Si/c1-5-19-21(6-2,7-3)20-16(4)12-11-15-18-17-13-9-8-10-14-17/h8-10,13-14,16,18H,5-7,11-12,15H2,1-4H3
InChIKeyBYNURUBQIHJHBP-UHFFFAOYSA-N
XLogP4.80
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.53
LogP ≤ 54.80
H-Bond Donors ≤ 51
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-[4-(1,1-dimethoxypropyl-methoxy-methylsilyl)oxypentyl]aniline
CID 175007746
N-[5-[ethyl(dimethoxy)silyl]pentyl]aniline
CID 142705911
N-[3-[[3-anilinopropyl-[3-anilinopropyl-[3-anilinopropyl-[3-anilinopropyl-[3-anilinopropyl-[3-anilinopropyl-[3-anilinopropyl(diethoxy)silyl]oxy-ethoxysilyl]oxy-ethoxysilyl]oxy-ethoxysilyl]oxy-ethoxysilyl]oxy-ethoxysilyl]oxy-ethoxysilyl]oxy-diethoxysilyl]propyl]aniline
CID 171623543
N-(4-butyloctyl)aniline
CID 175196464
N-[3-(3-triethoxysilylpropylsulfanyl)propyl]aniline
CID 175770295
N-(18-methylnonadecyl)aniline;hydrochloride
CID 173012868
N-(12-ethoxydodecyl)aniline
CID 54545171
N,N'-diphenylpropane-1,3-diamine;hydrochloride
CID 68721632
N-nonadecylaniline
CID 54509054
3-(3-aminopropyl-ethoxy-ethylsilyl)oxybutan-1-amine
CID 141113321
N-heptylaniline;hydrate
CID 174886464
N-(3,4-dimethylpentyl)aniline
CID 89346874

Frequently Asked Questions

What is the IUPAC name of N-[4-[ethoxy(diethyl)silyl]oxypentyl]aniline?
The IUPAC name of N-[4-[ethoxy(diethyl)silyl]oxypentyl]aniline (CID 175181392) is N-[4-[ethoxy(diethyl)silyl]oxypentyl]aniline.
What is the SMILES notation for N-[4-[ethoxy(diethyl)silyl]oxypentyl]aniline?
The canonical SMILES for N-[4-[ethoxy(diethyl)silyl]oxypentyl]aniline is CCO[Si](CC)(CC)OC(C)CCCNc1ccccc1.
What is the InChIKey of N-[4-[ethoxy(diethyl)silyl]oxypentyl]aniline?
The InChIKey is BYNURUBQIHJHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO2Si/c1-5-19-21(6-2,7-3)20-16(4)12-11-15-18-17-13-9-8-10-14-17/h8-10,13-14,16,18H,5-7,11-12,15H2,1-4H3.
What are the key properties of N-[4-[ethoxy(diethyl)silyl]oxypentyl]aniline?
N-[4-[ethoxy(diethyl)silyl]oxypentyl]aniline has a molecular weight of 309.53 g/mol, XLogP of 4.80, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[ethoxy(diethyl)silyl]oxypentyl]aniline is sourced from PubChem (CID 175181392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).