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

C12H29NO2Si — CID 175581846

IUPACN-[1-[diethoxy(methyl)silyl]propyl]butan-1-amine
SMILESCCCCNC(CC)[Si](C)(OCC)OCC
InChIInChI=1S/C12H29NO2Si/c1-6-10-11-13-12(7-2)16(5,14-8-3)15-9-4/h12-13H,6-11H2,1-5H3
InChIKeyATUSNBRYQXHSIJ-UHFFFAOYSA-N
MW247.45 g/mol
LogP2.84
Rot. Bonds10

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

N-[1-[diethoxy(methyl)silyl]propyl]butan-1-amine (PubChem CID 175581846) has the molecular formula C12H29NO2Si and a molecular weight of 247.45 g/mol. Its IUPAC name is N-[1-[diethoxy(methyl)silyl]propyl]butan-1-amine.

Molecular Properties

Compound NameN-[1-[diethoxy(methyl)silyl]propyl]butan-1-amine
PubChem CID175581846
Molecular FormulaC12H29NO2Si
Molecular Weight247.45 g/mol
Exact Mass247.20
IUPAC NameN-[1-[diethoxy(methyl)silyl]propyl]butan-1-amine
SMILESCCCCNC(CC)[Si](C)(OCC)OCC
InChIInChI=1S/C12H29NO2Si/c1-6-10-11-13-12(7-2)16(5,14-8-3)15-9-4/h12-13H,6-11H2,1-5H3
InChIKeyATUSNBRYQXHSIJ-UHFFFAOYSA-N
XLogP2.84
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.45
LogP ≤ 52.84
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-propyl-1-triethoxysilylpropan-1-amine
CID 87094166
N-[1-[diethoxy(methyl)silyl]propyl]-1-triethoxysilyloctan-1-amine
CID 175408992
N-(1-trimethoxysilylpropyl)hexan-1-amine
CID 87290664
N'-[2-[1-[dimethoxy(methyl)silyl]propylamino]ethyl]ethane-1,2-diamine
CID 19801524
N-butyl-3-methylpentan-2-amine
CID 43200990
(1S)-1-(butylamino)propan-1-ol
CID 153016894
N-[3-[diethoxy(methyl)silyl]propyl]butan-1-amine
CID 22679052
N-chloro-1-triethoxysilylpropan-1-amine
CID 175004161
1-[diethoxy(methyl)silyl]heptan-1-amine
CID 174602385
1-N'-butylpropane-1,1-diamine
CID 22184083
butylaminomethanedithiol
CID 25110747
N-propan-2-ylbutan-1-amine chloride
CID 19629099

Frequently Asked Questions

What is the IUPAC name of N-[1-[diethoxy(methyl)silyl]propyl]butan-1-amine?
The IUPAC name of N-[1-[diethoxy(methyl)silyl]propyl]butan-1-amine (CID 175581846) is N-[1-[diethoxy(methyl)silyl]propyl]butan-1-amine.
What is the SMILES notation for N-[1-[diethoxy(methyl)silyl]propyl]butan-1-amine?
The canonical SMILES for N-[1-[diethoxy(methyl)silyl]propyl]butan-1-amine is CCCCNC(CC)[Si](C)(OCC)OCC.
What is the InChIKey of N-[1-[diethoxy(methyl)silyl]propyl]butan-1-amine?
The InChIKey is ATUSNBRYQXHSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29NO2Si/c1-6-10-11-13-12(7-2)16(5,14-8-3)15-9-4/h12-13H,6-11H2,1-5H3.
What are the key properties of N-[1-[diethoxy(methyl)silyl]propyl]butan-1-amine?
N-[1-[diethoxy(methyl)silyl]propyl]butan-1-amine has a molecular weight of 247.45 g/mol, XLogP of 2.84, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[diethoxy(methyl)silyl]propyl]butan-1-amine is sourced from PubChem (CID 175581846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).