N-[3-[diethoxy(methyl)silyl]propyl]butan-1-amine

C12H29NO2Si — CID 22679052

IUPACN-[3-[diethoxy(methyl)silyl]propyl]butan-1-amine
SMILESCCCCNCCC[Si](C)(OCC)OCC
InChIInChI=1S/C12H29NO2Si/c1-5-8-10-13-11-9-12-16(4,14-6-2)15-7-3/h13H,5-12H2,1-4H3
InChIKeyJNCDQLJZXUIOKT-UHFFFAOYSA-N
MW247.45 g/mol
LogP2.91
Rot. Bonds11

About N-[3-[diethoxy(methyl)silyl]propyl]butan-1-amine

N-[3-[diethoxy(methyl)silyl]propyl]butan-1-amine (PubChem CID 22679052) has the molecular formula C12H29NO2Si and a molecular weight of 247.45 g/mol. Its IUPAC name is N-[3-[diethoxy(methyl)silyl]propyl]butan-1-amine.

Molecular Properties

Compound NameN-[3-[diethoxy(methyl)silyl]propyl]butan-1-amine
PubChem CID22679052
Molecular FormulaC12H29NO2Si
Molecular Weight247.45 g/mol
Exact Mass247.20
IUPAC NameN-[3-[diethoxy(methyl)silyl]propyl]butan-1-amine
SMILESCCCCNCCC[Si](C)(OCC)OCC
InChIInChI=1S/C12H29NO2Si/c1-5-8-10-13-11-9-12-16(4,14-6-2)15-7-3/h13H,5-12H2,1-4H3
InChIKeyJNCDQLJZXUIOKT-UHFFFAOYSA-N
XLogP2.91
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.45
LogP ≤ 52.91
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

diethoxy-methyl-undecylsilane
CID 140884401
methyl 3-[3-[diethoxy(methyl)silyl]propylamino]propanoate
CID 88852058
N-[3-[diethoxy(methyl)silyl]propyl]formamide
CID 125472982
N-butyl-8-[[8-(butylamino)octyl-diethoxysilyl]oxy-diethoxysilyl]octan-1-amine
CID 171623525
methyl N-[3-[diethoxy(methyl)silyl]propyl]carbamate
CID 22065771
N-(3-trihydroxysilylpropyl)butan-1-amine
CID 87400423
N-[3-[[diethoxy-[3-(3-triethoxysilylpropylamino)propyl]silyl]oxy-diethoxysilyl]propyl]-3-triethoxysilylpropan-1-amine
CID 171623585
N-butylbutan-1-amine;hydrochloride
CID 3083954
2-[2-[3-[3-[3-[2-(diaminomethylideneamino)ethylamino]propyl-ethoxy-methylsilyl]oxypropoxy-methoxy-methylsilyl]propylamino]ethyl]guanidine
CID 123500215
[diethoxy(methyl)silyl]methanethiol;3-[diethoxy(methyl)silyl]propyl-diethoxy-methylsilane
CID 165005930
N-butyl-5-trimethylsilyloxypentan-1-amine
CID 141054406
tri(propan-2-yl)silyl 3-[3-[diethoxy(methyl)silyl]propylamino]-2-methylpropanoate
CID 88852346

Frequently Asked Questions

What is the IUPAC name of N-[3-[diethoxy(methyl)silyl]propyl]butan-1-amine?
The IUPAC name of N-[3-[diethoxy(methyl)silyl]propyl]butan-1-amine (CID 22679052) is N-[3-[diethoxy(methyl)silyl]propyl]butan-1-amine.
What is the SMILES notation for N-[3-[diethoxy(methyl)silyl]propyl]butan-1-amine?
The canonical SMILES for N-[3-[diethoxy(methyl)silyl]propyl]butan-1-amine is CCCCNCCC[Si](C)(OCC)OCC.
What is the InChIKey of N-[3-[diethoxy(methyl)silyl]propyl]butan-1-amine?
The InChIKey is JNCDQLJZXUIOKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29NO2Si/c1-5-8-10-13-11-9-12-16(4,14-6-2)15-7-3/h13H,5-12H2,1-4H3.
What are the key properties of N-[3-[diethoxy(methyl)silyl]propyl]butan-1-amine?
N-[3-[diethoxy(methyl)silyl]propyl]butan-1-amine has a molecular weight of 247.45 g/mol, XLogP of 2.91, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[diethoxy(methyl)silyl]propyl]butan-1-amine is sourced from PubChem (CID 22679052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).