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

C13H26BNO3 — CID 10777378

IUPAC(Z)-N-methoxy-4-methyl-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
InChIInChI=1S/C13H26BNO3/c1-10(2)11(15-16-7)8-9-14-17-12(3,4)13(5,6)18-14/h10H,8-9H2,1-7H3/b15-11-
InChIKeyRUSSGQICMPHOIC-PTNGSMBKSA-N
MW255.17 g/mol
LogP3.13
Rot. Bonds5

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

(Z)-N-methoxy-4-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-3-imine (PubChem CID 10777378) has the molecular formula C13H26BNO3 and a molecular weight of 255.17 g/mol. Its IUPAC name is (Z)-N-methoxy-4-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-3-imine.

Molecular Properties

Compound Name(Z)-N-methoxy-4-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-3-imine
PubChem CID10777378
Molecular FormulaC13H26BNO3
Molecular Weight255.17 g/mol
Exact Mass255.20
IUPAC Name(Z)-N-methoxy-4-methyl-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
InChIInChI=1S/C13H26BNO3/c1-10(2)11(15-16-7)8-9-14-17-12(3,4)13(5,6)18-14/h10H,8-9H2,1-7H3/b15-11-
InChIKeyRUSSGQICMPHOIC-PTNGSMBKSA-N
XLogP3.13
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.17
LogP ≤ 53.13
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-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-3-imine?
The IUPAC name of (Z)-N-methoxy-4-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-3-imine (CID 10777378) is (Z)-N-methoxy-4-methyl-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-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-3-imine?
The canonical SMILES for (Z)-N-methoxy-4-methyl-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.
What is the InChIKey of (Z)-N-methoxy-4-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-3-imine?
The InChIKey is RUSSGQICMPHOIC-PTNGSMBKSA-N. The full InChI is InChI=1S/C13H26BNO3/c1-10(2)11(15-16-7)8-9-14-17-12(3,4)13(5,6)18-14/h10H,8-9H2,1-7H3/b15-11-.
What are the key properties of (Z)-N-methoxy-4-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-3-imine?
(Z)-N-methoxy-4-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-3-imine has a molecular weight of 255.17 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methoxy-4-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-3-imine is sourced from PubChem (CID 10777378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).