N-(1-butyl-2-ethylsilolan-2-yl)oxyethanamine

C12H27NOSi — CID 173175732

IUPACN-(1-butyl-2-ethylsilolan-2-yl)oxyethanamine
SMILESCCCC[SiH]1CCCC1(CC)ONCC
InChIInChI=1S/C12H27NOSi/c1-4-7-10-15-11-8-9-12(15,5-2)14-13-6-3/h13,15H,4-11H2,1-3H3
InChIKeyFOXCGWMRMRRPRH-UHFFFAOYSA-N
MW229.44 g/mol
LogP3.04
Rot. Bonds7

About N-(1-butyl-2-ethylsilolan-2-yl)oxyethanamine

N-(1-butyl-2-ethylsilolan-2-yl)oxyethanamine (PubChem CID 173175732) has the molecular formula C12H27NOSi and a molecular weight of 229.44 g/mol. Its IUPAC name is N-(1-butyl-2-ethylsilolan-2-yl)oxyethanamine.

Molecular Properties

Compound NameN-(1-butyl-2-ethylsilolan-2-yl)oxyethanamine
PubChem CID173175732
Molecular FormulaC12H27NOSi
Molecular Weight229.44 g/mol
Exact Mass229.19
IUPAC NameN-(1-butyl-2-ethylsilolan-2-yl)oxyethanamine
SMILESCCCC[SiH]1CCCC1(CC)ONCC
InChIInChI=1S/C12H27NOSi/c1-4-7-10-15-11-8-9-12(15,5-2)14-13-6-3/h13,15H,4-11H2,1-3H3
InChIKeyFOXCGWMRMRRPRH-UHFFFAOYSA-N
XLogP3.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.44
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-butyl-2-ethylsilolan-2-yl)oxyethanamine?
The IUPAC name of N-(1-butyl-2-ethylsilolan-2-yl)oxyethanamine (CID 173175732) is N-(1-butyl-2-ethylsilolan-2-yl)oxyethanamine.
What is the SMILES notation for N-(1-butyl-2-ethylsilolan-2-yl)oxyethanamine?
The canonical SMILES for N-(1-butyl-2-ethylsilolan-2-yl)oxyethanamine is CCCC[SiH]1CCCC1(CC)ONCC.
What is the InChIKey of N-(1-butyl-2-ethylsilolan-2-yl)oxyethanamine?
The InChIKey is FOXCGWMRMRRPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NOSi/c1-4-7-10-15-11-8-9-12(15,5-2)14-13-6-3/h13,15H,4-11H2,1-3H3.
What are the key properties of N-(1-butyl-2-ethylsilolan-2-yl)oxyethanamine?
N-(1-butyl-2-ethylsilolan-2-yl)oxyethanamine has a molecular weight of 229.44 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-butyl-2-ethylsilolan-2-yl)oxyethanamine is sourced from PubChem (CID 173175732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).