N-butyl-N-[dihydroxy(methoxy)silyl]oxybutan-1-amine

C9H23NO4Si — CID 175310034

IUPACN-butyl-N-[dihydroxy(methoxy)silyl]oxybutan-1-amine
SMILESCCCCN(CCCC)O[Si](O)(O)OC
InChIInChI=1S/C9H23NO4Si/c1-4-6-8-10(9-7-5-2)14-15(11,12)13-3/h11-12H,4-9H2,1-3H3
InChIKeyMIRFZZBGUKJXFZ-UHFFFAOYSA-N
MW237.37 g/mol
LogP0.89
Rot. Bonds9

About N-butyl-N-[dihydroxy(methoxy)silyl]oxybutan-1-amine

N-butyl-N-[dihydroxy(methoxy)silyl]oxybutan-1-amine (PubChem CID 175310034) has the molecular formula C9H23NO4Si and a molecular weight of 237.37 g/mol. Its IUPAC name is N-butyl-N-[dihydroxy(methoxy)silyl]oxybutan-1-amine.

Molecular Properties

Compound NameN-butyl-N-[dihydroxy(methoxy)silyl]oxybutan-1-amine
PubChem CID175310034
Molecular FormulaC9H23NO4Si
Molecular Weight237.37 g/mol
Exact Mass237.14
IUPAC NameN-butyl-N-[dihydroxy(methoxy)silyl]oxybutan-1-amine
SMILESCCCCN(CCCC)O[Si](O)(O)OC
InChIInChI=1S/C9H23NO4Si/c1-4-6-8-10(9-7-5-2)14-15(11,12)13-3/h11-12H,4-9H2,1-3H3
InChIKeyMIRFZZBGUKJXFZ-UHFFFAOYSA-N
XLogP0.89
TPSA62.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-butyl-N-[dihydroxy(methoxy)silyl]oxybutan-1-amine?
The IUPAC name of N-butyl-N-[dihydroxy(methoxy)silyl]oxybutan-1-amine (CID 175310034) is N-butyl-N-[dihydroxy(methoxy)silyl]oxybutan-1-amine.
What is the SMILES notation for N-butyl-N-[dihydroxy(methoxy)silyl]oxybutan-1-amine?
The canonical SMILES for N-butyl-N-[dihydroxy(methoxy)silyl]oxybutan-1-amine is CCCCN(CCCC)O[Si](O)(O)OC.
What is the InChIKey of N-butyl-N-[dihydroxy(methoxy)silyl]oxybutan-1-amine?
The InChIKey is MIRFZZBGUKJXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23NO4Si/c1-4-6-8-10(9-7-5-2)14-15(11,12)13-3/h11-12H,4-9H2,1-3H3.
What are the key properties of N-butyl-N-[dihydroxy(methoxy)silyl]oxybutan-1-amine?
N-butyl-N-[dihydroxy(methoxy)silyl]oxybutan-1-amine has a molecular weight of 237.37 g/mol, XLogP of 0.89, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[dihydroxy(methoxy)silyl]oxybutan-1-amine is sourced from PubChem (CID 175310034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).