N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentanamide

C13H26BNO3 — CID 90319311

IUPACN,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentanamide
SMILESCN(C)C(=O)CCCCB1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C13H26BNO3/c1-12(2)13(3,4)18-14(17-12)10-8-7-9-11(16)15(5)6/h7-10H2,1-6H3
InChIKeyPVUYDITXCKFXRY-UHFFFAOYSA-N
MW255.17 g/mol
LogP2.34
Rot. Bonds5

About N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentanamide

N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentanamide (PubChem CID 90319311) has the molecular formula C13H26BNO3 and a molecular weight of 255.17 g/mol. Its IUPAC name is N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentanamide.

Molecular Properties

Compound NameN,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentanamide
PubChem CID90319311
Molecular FormulaC13H26BNO3
Molecular Weight255.17 g/mol
Exact Mass255.20
IUPAC NameN,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentanamide
SMILESCN(C)C(=O)CCCCB1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C13H26BNO3/c1-12(2)13(3,4)18-14(17-12)10-8-7-9-11(16)15(5)6/h7-10H2,1-6H3
InChIKeyPVUYDITXCKFXRY-UHFFFAOYSA-N
XLogP2.34
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.17
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentanamide?
The IUPAC name of N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentanamide (CID 90319311) is N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentanamide.
What is the SMILES notation for N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentanamide?
The canonical SMILES for N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentanamide is CN(C)C(=O)CCCCB1OC(C)(C)C(C)(C)O1.
What is the InChIKey of N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentanamide?
The InChIKey is PVUYDITXCKFXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26BNO3/c1-12(2)13(3,4)18-14(17-12)10-8-7-9-11(16)15(5)6/h7-10H2,1-6H3.
What are the key properties of N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentanamide?
N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentanamide has a molecular weight of 255.17 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentanamide is sourced from PubChem (CID 90319311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).