CID 89419616

C9H21BN3O3P — CID 89419616

IUPAC—
SMILES[B]C1CN(C)CC(COP(=O)(NC)N(C)C)O1
InChIInChI=1S/C9H21BN3O3P/c1-11-17(14,12(2)3)15-7-8-5-13(4)6-9(10)16-8/h8-9H,5-7H2,1-4H3,(H,11,14)
InChIKeyQZTMIWKPLIJVSD-UHFFFAOYSA-N
MW261.07 g/mol
LogP-0.28
Rot. Bonds5

About CID 89419616

CID 89419616 (PubChem CID 89419616) has the molecular formula C9H21BN3O3P and a molecular weight of 261.07 g/mol.

Molecular Properties

Compound NameCID 89419616
PubChem CID89419616
Molecular FormulaC9H21BN3O3P
Molecular Weight261.07 g/mol
Exact Mass261.14
IUPAC Name—
SMILES[B]C1CN(C)CC(COP(=O)(NC)N(C)C)O1
InChIInChI=1S/C9H21BN3O3P/c1-11-17(14,12(2)3)15-7-8-5-13(4)6-9(10)16-8/h8-9H,5-7H2,1-4H3,(H,11,14)
InChIKeyQZTMIWKPLIJVSD-UHFFFAOYSA-N
XLogP-0.28
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.07
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 89419616?
The IUPAC name of CID 89419616 (CID 89419616) is not available.
What is the SMILES notation for CID 89419616?
The canonical SMILES for CID 89419616 is [B]C1CN(C)CC(COP(=O)(NC)N(C)C)O1.
What is the InChIKey of CID 89419616?
The InChIKey is QZTMIWKPLIJVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21BN3O3P/c1-11-17(14,12(2)3)15-7-8-5-13(4)6-9(10)16-8/h8-9H,5-7H2,1-4H3,(H,11,14).
What are the key properties of CID 89419616?
CID 89419616 has a molecular weight of 261.07 g/mol, XLogP of -0.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89419616 is sourced from PubChem (CID 89419616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).