dimethyl(pyrazolidin-1-yl)borane;ethane

C9H25BN2 — CID 142080389

IUPACdimethyl(pyrazolidin-1-yl)borane;ethane
SMILESCB(C)N1CCCN1.CC.CC
InChIInChI=1S/C5H13BN2.2C2H6/c1-6(2)8-5-3-4-7-8;2*1-2/h7H,3-5H2,1-2H3;2*1-2H3
InChIKeyANHWAEBYTYSQNV-UHFFFAOYSA-N
MW172.12 g/mol
LogP2.50
Rot. Bonds1

About dimethyl(pyrazolidin-1-yl)borane;ethane

dimethyl(pyrazolidin-1-yl)borane;ethane (PubChem CID 142080389) has the molecular formula C9H25BN2 and a molecular weight of 172.12 g/mol. Its IUPAC name is dimethyl(pyrazolidin-1-yl)borane;ethane.

Molecular Properties

Compound Namedimethyl(pyrazolidin-1-yl)borane;ethane
PubChem CID142080389
Molecular FormulaC9H25BN2
Molecular Weight172.12 g/mol
Exact Mass172.21
IUPAC Namedimethyl(pyrazolidin-1-yl)borane;ethane
SMILESCB(C)N1CCCN1.CC.CC
InChIInChI=1S/C5H13BN2.2C2H6/c1-6(2)8-5-3-4-7-8;2*1-2/h7H,3-5H2,1-2H3;2*1-2H3
InChIKeyANHWAEBYTYSQNV-UHFFFAOYSA-N
XLogP2.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.12
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 dimethyl(pyrazolidin-1-yl)borane;ethane?
The IUPAC name of dimethyl(pyrazolidin-1-yl)borane;ethane (CID 142080389) is dimethyl(pyrazolidin-1-yl)borane;ethane.
What is the SMILES notation for dimethyl(pyrazolidin-1-yl)borane;ethane?
The canonical SMILES for dimethyl(pyrazolidin-1-yl)borane;ethane is CB(C)N1CCCN1.CC.CC.
What is the InChIKey of dimethyl(pyrazolidin-1-yl)borane;ethane?
The InChIKey is ANHWAEBYTYSQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13BN2.2C2H6/c1-6(2)8-5-3-4-7-8;2*1-2/h7H,3-5H2,1-2H3;2*1-2H3.
What are the key properties of dimethyl(pyrazolidin-1-yl)borane;ethane?
dimethyl(pyrazolidin-1-yl)borane;ethane has a molecular weight of 172.12 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl(pyrazolidin-1-yl)borane;ethane is sourced from PubChem (CID 142080389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).