2-dimethylboranyloxyethanol;2,4-dimethylpentan-2-amine

C11H28BNO2 — CID 145084996

IUPAC2-dimethylboranyloxyethanol;2,4-dimethylpentan-2-amine
SMILESCB(C)OCCO.CC(C)CC(C)(C)N
InChIInChI=1S/C7H17N.C4H11BO2/c1-6(2)5-7(3,4)8;1-5(2)7-4-3-6/h6H,5,8H2,1-4H3;6H,3-4H2,1-2H3
InChIKeyUJWHYHMANAPUSO-UHFFFAOYSA-N
MW217.16 g/mol
LogP2.02
Rot. Bonds5

About 2-dimethylboranyloxyethanol;2,4-dimethylpentan-2-amine

2-dimethylboranyloxyethanol;2,4-dimethylpentan-2-amine (PubChem CID 145084996) has the molecular formula C11H28BNO2 and a molecular weight of 217.16 g/mol. Its IUPAC name is 2-dimethylboranyloxyethanol;2,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name2-dimethylboranyloxyethanol;2,4-dimethylpentan-2-amine
PubChem CID145084996
Molecular FormulaC11H28BNO2
Molecular Weight217.16 g/mol
Exact Mass217.22
IUPAC Name2-dimethylboranyloxyethanol;2,4-dimethylpentan-2-amine
SMILESCB(C)OCCO.CC(C)CC(C)(C)N
InChIInChI=1S/C7H17N.C4H11BO2/c1-6(2)5-7(3,4)8;1-5(2)7-4-3-6/h6H,5,8H2,1-4H3;6H,3-4H2,1-2H3
InChIKeyUJWHYHMANAPUSO-UHFFFAOYSA-N
XLogP2.02
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.16
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-dimethylboranyloxyethanol;2,4-dimethylpentan-2-amine?
The IUPAC name of 2-dimethylboranyloxyethanol;2,4-dimethylpentan-2-amine (CID 145084996) is 2-dimethylboranyloxyethanol;2,4-dimethylpentan-2-amine.
What is the SMILES notation for 2-dimethylboranyloxyethanol;2,4-dimethylpentan-2-amine?
The canonical SMILES for 2-dimethylboranyloxyethanol;2,4-dimethylpentan-2-amine is CB(C)OCCO.CC(C)CC(C)(C)N.
What is the InChIKey of 2-dimethylboranyloxyethanol;2,4-dimethylpentan-2-amine?
The InChIKey is UJWHYHMANAPUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N.C4H11BO2/c1-6(2)5-7(3,4)8;1-5(2)7-4-3-6/h6H,5,8H2,1-4H3;6H,3-4H2,1-2H3.
What are the key properties of 2-dimethylboranyloxyethanol;2,4-dimethylpentan-2-amine?
2-dimethylboranyloxyethanol;2,4-dimethylpentan-2-amine has a molecular weight of 217.16 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dimethylboranyloxyethanol;2,4-dimethylpentan-2-amine is sourced from PubChem (CID 145084996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).