CID 163235314

C15H32BN2 — CID 163235314

IUPAC—
SMILESCC(C)[B]CC(C)(C)CC(C)(C)N1CCNCC1
InChIInChI=1S/C15H32BN2/c1-13(2)16-12-14(3,4)11-15(5,6)18-9-7-17-8-10-18/h13,17H,7-12H2,1-6H3
InChIKeySKBULMIXSSCIRJ-UHFFFAOYSA-N
MW251.25 g/mol
LogP3.04
Rot. Bonds6

About CID 163235314

CID 163235314 (PubChem CID 163235314) has the molecular formula C15H32BN2 and a molecular weight of 251.25 g/mol.

Molecular Properties

Compound NameCID 163235314
PubChem CID163235314
Molecular FormulaC15H32BN2
Molecular Weight251.25 g/mol
Exact Mass251.27
IUPAC Name—
SMILESCC(C)[B]CC(C)(C)CC(C)(C)N1CCNCC1
InChIInChI=1S/C15H32BN2/c1-13(2)16-12-14(3,4)11-15(5,6)18-9-7-17-8-10-18/h13,17H,7-12H2,1-6H3
InChIKeySKBULMIXSSCIRJ-UHFFFAOYSA-N
XLogP3.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 163235314?
The IUPAC name of CID 163235314 (CID 163235314) is not available.
What is the SMILES notation for CID 163235314?
The canonical SMILES for CID 163235314 is CC(C)[B]CC(C)(C)CC(C)(C)N1CCNCC1.
What is the InChIKey of CID 163235314?
The InChIKey is SKBULMIXSSCIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32BN2/c1-13(2)16-12-14(3,4)11-15(5,6)18-9-7-17-8-10-18/h13,17H,7-12H2,1-6H3.
What are the key properties of CID 163235314?
CID 163235314 has a molecular weight of 251.25 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163235314 is sourced from PubChem (CID 163235314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).