3-diethylboranyl-N-methylpropan-1-amine

C8H20BN — CID 86012287

IUPAC3-diethylboranyl-N-methylpropan-1-amine
SMILESCCB(CC)CCCNC
InChIInChI=1S/C8H20BN/c1-4-9(5-2)7-6-8-10-3/h10H,4-8H2,1-3H3
InChIKeyLIJBJSZYPSSAGI-UHFFFAOYSA-N
MW141.07 g/mol
LogP2.13
Rot. Bonds6

About 3-diethylboranyl-N-methylpropan-1-amine

3-diethylboranyl-N-methylpropan-1-amine (PubChem CID 86012287) has the molecular formula C8H20BN and a molecular weight of 141.07 g/mol. Its IUPAC name is 3-diethylboranyl-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-diethylboranyl-N-methylpropan-1-amine
PubChem CID86012287
Molecular FormulaC8H20BN
Molecular Weight141.07 g/mol
Exact Mass141.17
IUPAC Name3-diethylboranyl-N-methylpropan-1-amine
SMILESCCB(CC)CCCNC
InChIInChI=1S/C8H20BN/c1-4-9(5-2)7-6-8-10-3/h10H,4-8H2,1-3H3
InChIKeyLIJBJSZYPSSAGI-UHFFFAOYSA-N
XLogP2.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.07
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-diethylboranyl-N-methylpropan-1-amine?
The IUPAC name of 3-diethylboranyl-N-methylpropan-1-amine (CID 86012287) is 3-diethylboranyl-N-methylpropan-1-amine.
What is the SMILES notation for 3-diethylboranyl-N-methylpropan-1-amine?
The canonical SMILES for 3-diethylboranyl-N-methylpropan-1-amine is CCB(CC)CCCNC.
What is the InChIKey of 3-diethylboranyl-N-methylpropan-1-amine?
The InChIKey is LIJBJSZYPSSAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20BN/c1-4-9(5-2)7-6-8-10-3/h10H,4-8H2,1-3H3.
What are the key properties of 3-diethylboranyl-N-methylpropan-1-amine?
3-diethylboranyl-N-methylpropan-1-amine has a molecular weight of 141.07 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diethylboranyl-N-methylpropan-1-amine is sourced from PubChem (CID 86012287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).