(Z)-N-methoxy-4,4-dimethyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-3-imine

C14H28BNO3 — CID 10539895

IUPAC(Z)-N-methoxy-4,4-dimethyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-3-imine
SMILESCO/N=C(/CCB1OC(C)(C)C(C)(C)O1)C(C)(C)C
InChIInChI=1S/C14H28BNO3/c1-12(2,3)11(16-17-8)9-10-15-18-13(4,5)14(6,7)19-15/h9-10H2,1-8H3/b16-11-
InChIKeyHNCMWYVACFPHNO-WJDWOHSUSA-N
MW269.19 g/mol
LogP3.52
Rot. Bonds4

About (Z)-N-methoxy-4,4-dimethyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-3-imine

(Z)-N-methoxy-4,4-dimethyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-3-imine (PubChem CID 10539895) has the molecular formula C14H28BNO3 and a molecular weight of 269.19 g/mol. Its IUPAC name is (Z)-N-methoxy-4,4-dimethyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-3-imine.

Molecular Properties

Compound Name(Z)-N-methoxy-4,4-dimethyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-3-imine
PubChem CID10539895
Molecular FormulaC14H28BNO3
Molecular Weight269.19 g/mol
Exact Mass269.22
IUPAC Name(Z)-N-methoxy-4,4-dimethyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-3-imine
SMILESCO/N=C(/CCB1OC(C)(C)C(C)(C)O1)C(C)(C)C
InChIInChI=1S/C14H28BNO3/c1-12(2,3)11(16-17-8)9-10-15-18-13(4,5)14(6,7)19-15/h9-10H2,1-8H3/b16-11-
InChIKeyHNCMWYVACFPHNO-WJDWOHSUSA-N
XLogP3.52
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.19
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_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 (Z)-N-methoxy-4,4-dimethyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-3-imine?
The IUPAC name of (Z)-N-methoxy-4,4-dimethyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-3-imine (CID 10539895) is (Z)-N-methoxy-4,4-dimethyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-3-imine.
What is the SMILES notation for (Z)-N-methoxy-4,4-dimethyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-3-imine?
The canonical SMILES for (Z)-N-methoxy-4,4-dimethyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-3-imine is CO/N=C(/CCB1OC(C)(C)C(C)(C)O1)C(C)(C)C.
What is the InChIKey of (Z)-N-methoxy-4,4-dimethyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-3-imine?
The InChIKey is HNCMWYVACFPHNO-WJDWOHSUSA-N. The full InChI is InChI=1S/C14H28BNO3/c1-12(2,3)11(16-17-8)9-10-15-18-13(4,5)14(6,7)19-15/h9-10H2,1-8H3/b16-11-.
What are the key properties of (Z)-N-methoxy-4,4-dimethyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-3-imine?
(Z)-N-methoxy-4,4-dimethyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-3-imine has a molecular weight of 269.19 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methoxy-4,4-dimethyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-3-imine is sourced from PubChem (CID 10539895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).