4-(2,2-diethoxyoxasilinan-6-yl)butan-1-amine

C12H27NO3Si — CID 67391709

IUPAC4-(2,2-diethoxyoxasilinan-6-yl)butan-1-amine
SMILESCCO[Si]1(OCC)CCCC(CCCCN)O1
InChIInChI=1S/C12H27NO3Si/c1-3-14-17(15-4-2)11-7-9-12(16-17)8-5-6-10-13/h12H,3-11,13H2,1-2H3
InChIKeyCNEORIRRXBGRHF-UHFFFAOYSA-N
MW261.44 g/mol
LogP2.31
Rot. Bonds8

About 4-(2,2-diethoxyoxasilinan-6-yl)butan-1-amine

4-(2,2-diethoxyoxasilinan-6-yl)butan-1-amine (PubChem CID 67391709) has the molecular formula C12H27NO3Si and a molecular weight of 261.44 g/mol. Its IUPAC name is 4-(2,2-diethoxyoxasilinan-6-yl)butan-1-amine.

Molecular Properties

Compound Name4-(2,2-diethoxyoxasilinan-6-yl)butan-1-amine
PubChem CID67391709
Molecular FormulaC12H27NO3Si
Molecular Weight261.44 g/mol
Exact Mass261.18
IUPAC Name4-(2,2-diethoxyoxasilinan-6-yl)butan-1-amine
SMILESCCO[Si]1(OCC)CCCC(CCCCN)O1
InChIInChI=1S/C12H27NO3Si/c1-3-14-17(15-4-2)11-7-9-12(16-17)8-5-6-10-13/h12H,3-11,13H2,1-2H3
InChIKeyCNEORIRRXBGRHF-UHFFFAOYSA-N
XLogP2.31
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.44
LogP ≤ 52.31
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

2-ethoxy-2-propyloxasilinan-6-amine
CID 175286060
4-[6-(oxiran-2-yl)hexoxy]butan-1-amine
CID 165009264
N'-ethyl-N'-[3-(oxolan-2-yl)propyl]propane-1,3-diamine
CID 65159083
2,2-dimethoxyoxasilinan-6-amine
CID 174466968
2,2-diethoxyoxasilirane
CID 140622651
3-(2,2-dimethyl-3,3-diphenyloxadisilinan-6-yl)propan-1-amine
CID 174867095
1-(2,2-dimethoxyoxasilinan-6-yl)propan-1-amine
CID 175135496
ethyl 5-(oxolan-2-yl)pentanoate
CID 121220970
4-cyclohexylbutan-1-amine;hydrochloride
CID 67665513
6-cyclohexylhexan-1-amine
CID 19875455
6-ethyl-2-methyloxasilinane-2-carbonitrile
CID 18974160
3-(3-ethyl-1,1,2-trimethoxysilinan-2-yl)propan-1-amine
CID 174818677

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-diethoxyoxasilinan-6-yl)butan-1-amine?
The IUPAC name of 4-(2,2-diethoxyoxasilinan-6-yl)butan-1-amine (CID 67391709) is 4-(2,2-diethoxyoxasilinan-6-yl)butan-1-amine.
What is the SMILES notation for 4-(2,2-diethoxyoxasilinan-6-yl)butan-1-amine?
The canonical SMILES for 4-(2,2-diethoxyoxasilinan-6-yl)butan-1-amine is CCO[Si]1(OCC)CCCC(CCCCN)O1.
What is the InChIKey of 4-(2,2-diethoxyoxasilinan-6-yl)butan-1-amine?
The InChIKey is CNEORIRRXBGRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO3Si/c1-3-14-17(15-4-2)11-7-9-12(16-17)8-5-6-10-13/h12H,3-11,13H2,1-2H3.
What are the key properties of 4-(2,2-diethoxyoxasilinan-6-yl)butan-1-amine?
4-(2,2-diethoxyoxasilinan-6-yl)butan-1-amine has a molecular weight of 261.44 g/mol, XLogP of 2.31, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-diethoxyoxasilinan-6-yl)butan-1-amine is sourced from PubChem (CID 67391709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).