1,3-dimethyl-1,3,2-diazaborinane

C5H13BN2 — CID 102486374

IUPAC1,3-dimethyl-1,3,2-diazaborinane
SMILESCN1BN(C)CCC1
InChIInChI=1S/C5H13BN2/c1-7-4-3-5-8(2)6-7/h6H,3-5H2,1-2H3
InChIKeyANZPGKWWIXXWLS-UHFFFAOYSA-N
MW111.98 g/mol
LogP-0.48
Rot. Bonds

About 1,3-dimethyl-1,3,2-diazaborinane

1,3-dimethyl-1,3,2-diazaborinane (PubChem CID 102486374) has the molecular formula C5H13BN2 and a molecular weight of 111.98 g/mol. Its IUPAC name is 1,3-dimethyl-1,3,2-diazaborinane.

Molecular Properties

Compound Name1,3-dimethyl-1,3,2-diazaborinane
PubChem CID102486374
Molecular FormulaC5H13BN2
Molecular Weight111.98 g/mol
Exact Mass112.12
IUPAC Name1,3-dimethyl-1,3,2-diazaborinane
SMILESCN1BN(C)CCC1
InChIInChI=1S/C5H13BN2/c1-7-4-3-5-8(2)6-7/h6H,3-5H2,1-2H3
InChIKeyANZPGKWWIXXWLS-UHFFFAOYSA-N
XLogP-0.48
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.98
LogP ≤ 5-0.48
H-Bond Donors ≤ 50
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 1,3-dimethyl-1,3,2-diazaborinane?
The IUPAC name of 1,3-dimethyl-1,3,2-diazaborinane (CID 102486374) is 1,3-dimethyl-1,3,2-diazaborinane.
What is the SMILES notation for 1,3-dimethyl-1,3,2-diazaborinane?
The canonical SMILES for 1,3-dimethyl-1,3,2-diazaborinane is CN1BN(C)CCC1.
What is the InChIKey of 1,3-dimethyl-1,3,2-diazaborinane?
The InChIKey is ANZPGKWWIXXWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13BN2/c1-7-4-3-5-8(2)6-7/h6H,3-5H2,1-2H3.
What are the key properties of 1,3-dimethyl-1,3,2-diazaborinane?
1,3-dimethyl-1,3,2-diazaborinane has a molecular weight of 111.98 g/mol, XLogP of -0.48, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-1,3,2-diazaborinane is sourced from PubChem (CID 102486374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).