N-[2-[bis(1-hydroxyiminobutan-2-yl)-methylsilyl]butylidene]hydroxylamine

C13H27N3O3Si — CID 173411551

IUPACN-[2-[bis(1-hydroxyiminobutan-2-yl)-methylsilyl]butylidene]hydroxylamine
SMILESCCC(C=NO)[Si](C)(C(C=NO)CC)C(C=NO)CC
InChIInChI=1S/C13H27N3O3Si/c1-5-11(8-14-17)20(4,12(6-2)9-15-18)13(7-3)10-16-19/h8-13,17-19H,5-7H2,1-4H3
InChIKeyDIRXBIIUFLDAJI-UHFFFAOYSA-N
MW301.46 g/mol
LogP3.79
Rot. Bonds9

About N-[2-[bis(1-hydroxyiminobutan-2-yl)-methylsilyl]butylidene]hydroxylamine

N-[2-[bis(1-hydroxyiminobutan-2-yl)-methylsilyl]butylidene]hydroxylamine (PubChem CID 173411551) has the molecular formula C13H27N3O3Si and a molecular weight of 301.46 g/mol. Its IUPAC name is N-[2-[bis(1-hydroxyiminobutan-2-yl)-methylsilyl]butylidene]hydroxylamine.

Molecular Properties

Compound NameN-[2-[bis(1-hydroxyiminobutan-2-yl)-methylsilyl]butylidene]hydroxylamine
PubChem CID173411551
Molecular FormulaC13H27N3O3Si
Molecular Weight301.46 g/mol
Exact Mass301.18
IUPAC NameN-[2-[bis(1-hydroxyiminobutan-2-yl)-methylsilyl]butylidene]hydroxylamine
SMILESCCC(C=NO)[Si](C)(C(C=NO)CC)C(C=NO)CC
InChIInChI=1S/C13H27N3O3Si/c1-5-11(8-14-17)20(4,12(6-2)9-15-18)13(7-3)10-16-19/h8-13,17-19H,5-7H2,1-4H3
InChIKeyDIRXBIIUFLDAJI-UHFFFAOYSA-N
XLogP3.79
TPSA97.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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-[2-[bis(1-hydroxyiminobutan-2-yl)-methylsilyl]butylidene]hydroxylamine?
The IUPAC name of N-[2-[bis(1-hydroxyiminobutan-2-yl)-methylsilyl]butylidene]hydroxylamine (CID 173411551) is N-[2-[bis(1-hydroxyiminobutan-2-yl)-methylsilyl]butylidene]hydroxylamine.
What is the SMILES notation for N-[2-[bis(1-hydroxyiminobutan-2-yl)-methylsilyl]butylidene]hydroxylamine?
The canonical SMILES for N-[2-[bis(1-hydroxyiminobutan-2-yl)-methylsilyl]butylidene]hydroxylamine is CCC(C=NO)[Si](C)(C(C=NO)CC)C(C=NO)CC.
What is the InChIKey of N-[2-[bis(1-hydroxyiminobutan-2-yl)-methylsilyl]butylidene]hydroxylamine?
The InChIKey is DIRXBIIUFLDAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O3Si/c1-5-11(8-14-17)20(4,12(6-2)9-15-18)13(7-3)10-16-19/h8-13,17-19H,5-7H2,1-4H3.
What are the key properties of N-[2-[bis(1-hydroxyiminobutan-2-yl)-methylsilyl]butylidene]hydroxylamine?
N-[2-[bis(1-hydroxyiminobutan-2-yl)-methylsilyl]butylidene]hydroxylamine has a molecular weight of 301.46 g/mol, XLogP of 3.79, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[bis(1-hydroxyiminobutan-2-yl)-methylsilyl]butylidene]hydroxylamine is sourced from PubChem (CID 173411551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).