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

C13H26BNO3 — CID 10753489

IUPAC(Z)-N-methoxy-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexan-3-imine
SMILESCCC/C(CCB1OC(C)(C)C(C)(C)O1)=N\OC
InChIInChI=1S/C13H26BNO3/c1-7-8-11(15-16-6)9-10-14-17-12(2,3)13(4,5)18-14/h7-10H2,1-6H3/b15-11+
InChIKeyLNWADBRGAOYQPJ-RVDMUPIBSA-N
MW255.17 g/mol
LogP3.27
Rot. Bonds6

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

(Z)-N-methoxy-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexan-3-imine (PubChem CID 10753489) has the molecular formula C13H26BNO3 and a molecular weight of 255.17 g/mol. Its IUPAC name is (Z)-N-methoxy-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexan-3-imine.

Molecular Properties

Compound Name(Z)-N-methoxy-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexan-3-imine
PubChem CID10753489
Molecular FormulaC13H26BNO3
Molecular Weight255.17 g/mol
Exact Mass255.20
IUPAC Name(Z)-N-methoxy-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexan-3-imine
SMILESCCC/C(CCB1OC(C)(C)C(C)(C)O1)=N\OC
InChIInChI=1S/C13H26BNO3/c1-7-8-11(15-16-6)9-10-14-17-12(2,3)13(4,5)18-14/h7-10H2,1-6H3/b15-11+
InChIKeyLNWADBRGAOYQPJ-RVDMUPIBSA-N
XLogP3.27
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.17
LogP ≤ 53.27
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-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexan-3-imine?
The IUPAC name of (Z)-N-methoxy-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexan-3-imine (CID 10753489) is (Z)-N-methoxy-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexan-3-imine.
What is the SMILES notation for (Z)-N-methoxy-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexan-3-imine?
The canonical SMILES for (Z)-N-methoxy-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexan-3-imine is CCC/C(CCB1OC(C)(C)C(C)(C)O1)=N\OC.
What is the InChIKey of (Z)-N-methoxy-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexan-3-imine?
The InChIKey is LNWADBRGAOYQPJ-RVDMUPIBSA-N. The full InChI is InChI=1S/C13H26BNO3/c1-7-8-11(15-16-6)9-10-14-17-12(2,3)13(4,5)18-14/h7-10H2,1-6H3/b15-11+.
What are the key properties of (Z)-N-methoxy-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexan-3-imine?
(Z)-N-methoxy-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexan-3-imine has a molecular weight of 255.17 g/mol, XLogP of 3.27, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methoxy-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexan-3-imine is sourced from PubChem (CID 10753489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).