CID 174031029

C15H23BN — CID 174031029

IUPAC—
SMILESCC(C)C(C)[B]c1cccc2c1CCCCN2
InChIInChI=1S/C15H23BN/c1-11(2)12(3)16-14-8-6-9-15-13(14)7-4-5-10-17-15/h6,8-9,11-12,17H,4-5,7,10H2,1-3H3
InChIKeyYUFTYKCQJFNDAR-UHFFFAOYSA-N
MW228.17 g/mol
LogP3.23
Rot. Bonds3

About CID 174031029

CID 174031029 (PubChem CID 174031029) has the molecular formula C15H23BN and a molecular weight of 228.17 g/mol.

Molecular Properties

Compound NameCID 174031029
PubChem CID174031029
Molecular FormulaC15H23BN
Molecular Weight228.17 g/mol
Exact Mass228.19
IUPAC Name—
SMILESCC(C)C(C)[B]c1cccc2c1CCCCN2
InChIInChI=1S/C15H23BN/c1-11(2)12(3)16-14-8-6-9-15-13(14)7-4-5-10-17-15/h6,8-9,11-12,17H,4-5,7,10H2,1-3H3
InChIKeyYUFTYKCQJFNDAR-UHFFFAOYSA-N
XLogP3.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.17
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 174031029?
The IUPAC name of CID 174031029 (CID 174031029) is not available.
What is the SMILES notation for CID 174031029?
The canonical SMILES for CID 174031029 is CC(C)C(C)[B]c1cccc2c1CCCCN2.
What is the InChIKey of CID 174031029?
The InChIKey is YUFTYKCQJFNDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BN/c1-11(2)12(3)16-14-8-6-9-15-13(14)7-4-5-10-17-15/h6,8-9,11-12,17H,4-5,7,10H2,1-3H3.
What are the key properties of CID 174031029?
CID 174031029 has a molecular weight of 228.17 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174031029 is sourced from PubChem (CID 174031029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).