N-dimethylboranyl-N-ethylethanamine

C6H16BN — CID 5326241

IUPACN-dimethylboranyl-N-ethylethanamine
SMILESCCN(CC)B(C)C
InChIInChI=1S/C6H16BN/c1-5-8(6-2)7(3)4/h5-6H2,1-4H3
InChIKeyPCCRZPYBCHRPNM-UHFFFAOYSA-N
MW113.01 g/mol
LogP1.58
Rot. Bonds3

About N-dimethylboranyl-N-ethylethanamine

N-dimethylboranyl-N-ethylethanamine (PubChem CID 5326241) has the molecular formula C6H16BN and a molecular weight of 113.01 g/mol. Its IUPAC name is N-dimethylboranyl-N-ethylethanamine.

Molecular Properties

Compound NameN-dimethylboranyl-N-ethylethanamine
PubChem CID5326241
Molecular FormulaC6H16BN
Molecular Weight113.01 g/mol
Exact Mass113.14
IUPAC NameN-dimethylboranyl-N-ethylethanamine
SMILESCCN(CC)B(C)C
InChIInChI=1S/C6H16BN/c1-5-8(6-2)7(3)4/h5-6H2,1-4H3
InChIKeyPCCRZPYBCHRPNM-UHFFFAOYSA-N
XLogP1.58
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.01
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 N-dimethylboranyl-N-ethylethanamine?
The IUPAC name of N-dimethylboranyl-N-ethylethanamine (CID 5326241) is N-dimethylboranyl-N-ethylethanamine.
What is the SMILES notation for N-dimethylboranyl-N-ethylethanamine?
The canonical SMILES for N-dimethylboranyl-N-ethylethanamine is CCN(CC)B(C)C.
What is the InChIKey of N-dimethylboranyl-N-ethylethanamine?
The InChIKey is PCCRZPYBCHRPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16BN/c1-5-8(6-2)7(3)4/h5-6H2,1-4H3.
What are the key properties of N-dimethylboranyl-N-ethylethanamine?
N-dimethylboranyl-N-ethylethanamine has a molecular weight of 113.01 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-dimethylboranyl-N-ethylethanamine is sourced from PubChem (CID 5326241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).