(((2-(Dimethylamino)ethyl)(dimethyl)-lambda~5~-azanyl)boryl)methanediol

C7H18BN2O2 — CID 6338387

IUPAC—
SMILESCN(C)CCN(C)C.[B]=C(O)O
InChIInChI=1S/C6H16N2.CH2BO2/c1-7(2)5-6-8(3)4;2-1(3)4/h5-6H2,1-4H3;3-4H
InChIKeyAZJGPUPTNXPPDO-UHFFFAOYSA-N
MW173.05 g/mol
LogP-0.90
Rot. Bonds3

About (((2-(Dimethylamino)ethyl)(dimethyl)-lambda~5~-azanyl)boryl)methanediol

(((2-(Dimethylamino)ethyl)(dimethyl)-lambda~5~-azanyl)boryl)methanediol (PubChem CID 6338387) has the molecular formula C7H18BN2O2 and a molecular weight of 173.05 g/mol.

Molecular Properties

Compound Name(((2-(Dimethylamino)ethyl)(dimethyl)-lambda~5~-azanyl)boryl)methanediol
PubChem CID6338387
Molecular FormulaC7H18BN2O2
Molecular Weight173.05 g/mol
Exact Mass173.15
IUPAC Name—
SMILESCN(C)CCN(C)C.[B]=C(O)O
InChIInChI=1S/C6H16N2.CH2BO2/c1-7(2)5-6-8(3)4;2-1(3)4/h5-6H2,1-4H3;3-4H
InChIKeyAZJGPUPTNXPPDO-UHFFFAOYSA-N
XLogP-0.90
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.05
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (((2-(Dimethylamino)ethyl)(dimethyl)-lambda~5~-azanyl)boryl)methanediol?
The IUPAC name of (((2-(Dimethylamino)ethyl)(dimethyl)-lambda~5~-azanyl)boryl)methanediol (CID 6338387) is not available.
What is the SMILES notation for (((2-(Dimethylamino)ethyl)(dimethyl)-lambda~5~-azanyl)boryl)methanediol?
The canonical SMILES for (((2-(Dimethylamino)ethyl)(dimethyl)-lambda~5~-azanyl)boryl)methanediol is CN(C)CCN(C)C.[B]=C(O)O.
What is the InChIKey of (((2-(Dimethylamino)ethyl)(dimethyl)-lambda~5~-azanyl)boryl)methanediol?
The InChIKey is AZJGPUPTNXPPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2.CH2BO2/c1-7(2)5-6-8(3)4;2-1(3)4/h5-6H2,1-4H3;3-4H.
What are the key properties of (((2-(Dimethylamino)ethyl)(dimethyl)-lambda~5~-azanyl)boryl)methanediol?
(((2-(Dimethylamino)ethyl)(dimethyl)-lambda~5~-azanyl)boryl)methanediol has a molecular weight of 173.05 g/mol, XLogP of -0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (((2-(Dimethylamino)ethyl)(dimethyl)-lambda~5~-azanyl)boryl)methanediol is sourced from PubChem (CID 6338387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).