CID 20836075

C7H19BN2O2+ — CID 20836075

IUPAC—
SMILESCN(C)CC[N+](C)(C)[B]C(O)O
InChIInChI=1S/C7H19BN2O2/c1-9(2)5-6-10(3,4)8-7(11)12/h7,11-12H,5-6H2,1-4H3/q+1
InChIKeyJUWZQGSPABIMEO-UHFFFAOYSA-N
MW174.05 g/mol
LogP-1.49
Rot. Bonds5

About CID 20836075

CID 20836075 (PubChem CID 20836075) has the molecular formula C7H19BN2O2+ and a molecular weight of 174.05 g/mol.

Molecular Properties

Compound NameCID 20836075
PubChem CID20836075
Molecular FormulaC7H19BN2O2+
Molecular Weight174.05 g/mol
Exact Mass174.15
IUPAC Name—
SMILESCN(C)CC[N+](C)(C)[B]C(O)O
InChIInChI=1S/C7H19BN2O2/c1-9(2)5-6-10(3,4)8-7(11)12/h7,11-12H,5-6H2,1-4H3/q+1
InChIKeyJUWZQGSPABIMEO-UHFFFAOYSA-N
XLogP-1.49
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.05
LogP ≤ 5-1.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze CID 20836075 with MolForge

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

Launch Full Analysis

Related Compounds

(((2-(Dimethylamino)ethyl)(dimethyl)-lambda~5~-azanyl)boryl)methanediol
CID 6338387
Dihydroxymethyl-[2-(dimethylamino)ethyl-dimethylazaniumyl]boranuide
CID 90661642
(1,1,3,3-Tetramethyl-1,3-diazonia-2-boranuidacyclopent-2-yl)methanediol
CID 90661680
(1,1,3,3-Tetramethyl-1,3-diazonia-2-boranuidacyclopent-2-yl)methanediol;hydrobromide
CID 145946150
(1,1,3,3-Tetramethyl-1,3,2-diazaborolidine-1,3-diium-2-yl)methanediol;hydrobromide
CID 22210535
(1,1,3,3-Tetramethyl-1,3,2-diazaborolidine-1,3-diium-2-yl)methanediol
CID 22210536
CID 118753657
CID 118753657

Frequently Asked Questions

What is the IUPAC name of CID 20836075?
The IUPAC name of CID 20836075 (CID 20836075) is not available.
What is the SMILES notation for CID 20836075?
The canonical SMILES for CID 20836075 is CN(C)CC[N+](C)(C)[B]C(O)O.
What is the InChIKey of CID 20836075?
The InChIKey is JUWZQGSPABIMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H19BN2O2/c1-9(2)5-6-10(3,4)8-7(11)12/h7,11-12H,5-6H2,1-4H3/q+1.
What are the key properties of CID 20836075?
CID 20836075 has a molecular weight of 174.05 g/mol, XLogP of -1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 20836075 is sourced from PubChem (CID 20836075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).