CID 174928888

C14H26BNO2 — CID 174928888

IUPAC—
SMILES[B]C(CCCC)(C(=O)O)C1CC(NCC(C)C)C1
InChIInChI=1S/C14H26BNO2/c1-4-5-6-14(15,13(17)18)11-7-12(8-11)16-9-10(2)3/h10-12,16H,4-9H2,1-3H3,(H,17,18)
InChIKeyZQFMGUQMPQPACF-UHFFFAOYSA-N
MW251.18 g/mol
LogP2.61
Rot. Bonds8

About CID 174928888

CID 174928888 (PubChem CID 174928888) has the molecular formula C14H26BNO2 and a molecular weight of 251.18 g/mol.

Molecular Properties

Compound NameCID 174928888
PubChem CID174928888
Molecular FormulaC14H26BNO2
Molecular Weight251.18 g/mol
Exact Mass251.21
IUPAC Name—
SMILES[B]C(CCCC)(C(=O)O)C1CC(NCC(C)C)C1
InChIInChI=1S/C14H26BNO2/c1-4-5-6-14(15,13(17)18)11-7-12(8-11)16-9-10(2)3/h10-12,16H,4-9H2,1-3H3,(H,17,18)
InChIKeyZQFMGUQMPQPACF-UHFFFAOYSA-N
XLogP2.61
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.18
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 63950844
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Frequently Asked Questions

What is the IUPAC name of CID 174928888?
The IUPAC name of CID 174928888 (CID 174928888) is not available.
What is the SMILES notation for CID 174928888?
The canonical SMILES for CID 174928888 is [B]C(CCCC)(C(=O)O)C1CC(NCC(C)C)C1.
What is the InChIKey of CID 174928888?
The InChIKey is ZQFMGUQMPQPACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26BNO2/c1-4-5-6-14(15,13(17)18)11-7-12(8-11)16-9-10(2)3/h10-12,16H,4-9H2,1-3H3,(H,17,18).
What are the key properties of CID 174928888?
CID 174928888 has a molecular weight of 251.18 g/mol, XLogP of 2.61, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174928888 is sourced from PubChem (CID 174928888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).