(1,1,3,3-tetramethyl-1,3-diazonia-2-boranuidacyclopent-2-yl)methanediol

C7H20BN2O2+ — CID 90661680

IUPAC(1,1,3,3-tetramethyl-1,3-diazonia-2-boranuidacyclopent-2-yl)methanediol
SMILESC[N+]1(C)CC[N+](C)(C)[BH-]1C(O)O
InChIInChI=1S/C7H20BN2O2/c1-9(2)5-6-10(3,4)8(9)7(11)12/h7-8,11-12H,5-6H2,1-4H3/q+1
InChIKeyNBNZPTHSEVQMHK-UHFFFAOYSA-N
MW175.06 g/mol
LogP-1.78
Rot. Bonds1

About (1,1,3,3-tetramethyl-1,3-diazonia-2-boranuidacyclopent-2-yl)methanediol

(1,1,3,3-tetramethyl-1,3-diazonia-2-boranuidacyclopent-2-yl)methanediol (PubChem CID 90661680) has the molecular formula C7H20BN2O2+ and a molecular weight of 175.06 g/mol. Its IUPAC name is (1,1,3,3-tetramethyl-1,3-diazonia-2-boranuidacyclopent-2-yl)methanediol.

Molecular Properties

Compound Name(1,1,3,3-tetramethyl-1,3-diazonia-2-boranuidacyclopent-2-yl)methanediol
PubChem CID90661680
Molecular FormulaC7H20BN2O2+
Molecular Weight175.06 g/mol
Exact Mass175.16
IUPAC Name(1,1,3,3-tetramethyl-1,3-diazonia-2-boranuidacyclopent-2-yl)methanediol
SMILESC[N+]1(C)CC[N+](C)(C)[BH-]1C(O)O
InChIInChI=1S/C7H20BN2O2/c1-9(2)5-6-10(3,4)8(9)7(11)12/h7-8,11-12H,5-6H2,1-4H3/q+1
InChIKeyNBNZPTHSEVQMHK-UHFFFAOYSA-N
XLogP-1.78
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.06
LogP ≤ 5-1.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1,1,3,3-tetramethyl-1,3-diazonia-2-boranuidacyclopent-2-yl)methanediol?
The IUPAC name of (1,1,3,3-tetramethyl-1,3-diazonia-2-boranuidacyclopent-2-yl)methanediol (CID 90661680) is (1,1,3,3-tetramethyl-1,3-diazonia-2-boranuidacyclopent-2-yl)methanediol.
What is the SMILES notation for (1,1,3,3-tetramethyl-1,3-diazonia-2-boranuidacyclopent-2-yl)methanediol?
The canonical SMILES for (1,1,3,3-tetramethyl-1,3-diazonia-2-boranuidacyclopent-2-yl)methanediol is C[N+]1(C)CC[N+](C)(C)[BH-]1C(O)O.
What is the InChIKey of (1,1,3,3-tetramethyl-1,3-diazonia-2-boranuidacyclopent-2-yl)methanediol?
The InChIKey is NBNZPTHSEVQMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H20BN2O2/c1-9(2)5-6-10(3,4)8(9)7(11)12/h7-8,11-12H,5-6H2,1-4H3/q+1.
What are the key properties of (1,1,3,3-tetramethyl-1,3-diazonia-2-boranuidacyclopent-2-yl)methanediol?
(1,1,3,3-tetramethyl-1,3-diazonia-2-boranuidacyclopent-2-yl)methanediol has a molecular weight of 175.06 g/mol, XLogP of -1.78, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1,3,3-tetramethyl-1,3-diazonia-2-boranuidacyclopent-2-yl)methanediol is sourced from PubChem (CID 90661680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).