CID 57053069

C6H18BN3P+ — CID 57053069

IUPAC—
SMILES[B][P+](N(C)C)(N(C)C)N(C)C
InChIInChI=1S/C6H18BN3P/c1-8(2)11(7,9(3)4)10(5)6/h1-6H3/q+1
InChIKeyAEGWERHIAQDPIE-UHFFFAOYSA-N
MW174.02 g/mol
LogP0.52
Rot. Bonds3

About CID 57053069

CID 57053069 (PubChem CID 57053069) has the molecular formula C6H18BN3P+ and a molecular weight of 174.02 g/mol.

Molecular Properties

Compound NameCID 57053069
PubChem CID57053069
Molecular FormulaC6H18BN3P+
Molecular Weight174.02 g/mol
Exact Mass174.13
IUPAC Name—
SMILES[B][P+](N(C)C)(N(C)C)N(C)C
InChIInChI=1S/C6H18BN3P/c1-8(2)11(7,9(3)4)10(5)6/h1-6H3/q+1
InChIKeyAEGWERHIAQDPIE-UHFFFAOYSA-N
XLogP0.52
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.02
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 57053069?
The IUPAC name of CID 57053069 (CID 57053069) is not available.
What is the SMILES notation for CID 57053069?
The canonical SMILES for CID 57053069 is [B][P+](N(C)C)(N(C)C)N(C)C.
What is the InChIKey of CID 57053069?
The InChIKey is AEGWERHIAQDPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H18BN3P/c1-8(2)11(7,9(3)4)10(5)6/h1-6H3/q+1.
What are the key properties of CID 57053069?
CID 57053069 has a molecular weight of 174.02 g/mol, XLogP of 0.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57053069 is sourced from PubChem (CID 57053069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).