CID 20692364

C10H25BN3 — CID 20692364

IUPAC—
SMILESCCCN(C)[B]N(C)CC(C)CNC
InChIInChI=1S/C10H25BN3/c1-6-7-13(4)11-14(5)9-10(2)8-12-3/h10,12H,6-9H2,1-5H3
InChIKeyASQJECTVLKFMOY-UHFFFAOYSA-N
MW198.14 g/mol
LogP0.65
Rot. Bonds8

About CID 20692364

CID 20692364 (PubChem CID 20692364) has the molecular formula C10H25BN3 and a molecular weight of 198.14 g/mol.

Molecular Properties

Compound NameCID 20692364
PubChem CID20692364
Molecular FormulaC10H25BN3
Molecular Weight198.14 g/mol
Exact Mass198.21
IUPAC Name—
SMILESCCCN(C)[B]N(C)CC(C)CNC
InChIInChI=1S/C10H25BN3/c1-6-7-13(4)11-14(5)9-10(2)8-12-3/h10,12H,6-9H2,1-5H3
InChIKeyASQJECTVLKFMOY-UHFFFAOYSA-N
XLogP0.65
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.14
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 CID 20692364?
The IUPAC name of CID 20692364 (CID 20692364) is not available.
What is the SMILES notation for CID 20692364?
The canonical SMILES for CID 20692364 is CCCN(C)[B]N(C)CC(C)CNC.
What is the InChIKey of CID 20692364?
The InChIKey is ASQJECTVLKFMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H25BN3/c1-6-7-13(4)11-14(5)9-10(2)8-12-3/h10,12H,6-9H2,1-5H3.
What are the key properties of CID 20692364?
CID 20692364 has a molecular weight of 198.14 g/mol, XLogP of 0.65, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 20692364 is sourced from PubChem (CID 20692364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).