CID 88582619

C15H29BN2O2 — CID 88582619

IUPAC—
SMILES[B]CCCCC(N)(CCN1CCC(C)(C)CC1)C(=O)O
InChIInChI=1S/C15H29BN2O2/c1-14(2)6-10-18(11-7-14)12-8-15(17,13(19)20)5-3-4-9-16/h3-12,17H2,1-2H3,(H,19,20)
InChIKeyJCDXLHSDDCFPSD-UHFFFAOYSA-N
MW280.22 g/mol
LogP2.04
Rot. Bonds8

About CID 88582619

CID 88582619 (PubChem CID 88582619) has the molecular formula C15H29BN2O2 and a molecular weight of 280.22 g/mol.

Molecular Properties

Compound NameCID 88582619
PubChem CID88582619
Molecular FormulaC15H29BN2O2
Molecular Weight280.22 g/mol
Exact Mass280.23
IUPAC Name—
SMILES[B]CCCCC(N)(CCN1CCC(C)(C)CC1)C(=O)O
InChIInChI=1S/C15H29BN2O2/c1-14(2)6-10-18(11-7-14)12-8-15(17,13(19)20)5-3-4-9-16/h3-12,17H2,1-2H3,(H,19,20)
InChIKeyJCDXLHSDDCFPSD-UHFFFAOYSA-N
XLogP2.04
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.22
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 88582619?
The IUPAC name of CID 88582619 (CID 88582619) is not available.
What is the SMILES notation for CID 88582619?
The canonical SMILES for CID 88582619 is [B]CCCCC(N)(CCN1CCC(C)(C)CC1)C(=O)O.
What is the InChIKey of CID 88582619?
The InChIKey is JCDXLHSDDCFPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29BN2O2/c1-14(2)6-10-18(11-7-14)12-8-15(17,13(19)20)5-3-4-9-16/h3-12,17H2,1-2H3,(H,19,20).
What are the key properties of CID 88582619?
CID 88582619 has a molecular weight of 280.22 g/mol, XLogP of 2.04, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88582619 is sourced from PubChem (CID 88582619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).