CID 54448935

C6H14BClN — CID 54448935

IUPAC—
SMILESCC(C)N([B]Cl)C(C)C
InChIInChI=1S/C6H14BClN/c1-5(2)9(7-8)6(3)4/h5-6H,1-4H3
InChIKeyBTURLNFMKBTTPU-UHFFFAOYSA-N
MW146.45 g/mol
LogP1.88
Rot. Bonds3

About CID 54448935

CID 54448935 (PubChem CID 54448935) has the molecular formula C6H14BClN and a molecular weight of 146.45 g/mol.

Molecular Properties

Compound NameCID 54448935
PubChem CID54448935
Molecular FormulaC6H14BClN
Molecular Weight146.45 g/mol
Exact Mass146.09
IUPAC Name—
SMILESCC(C)N([B]Cl)C(C)C
InChIInChI=1S/C6H14BClN/c1-5(2)9(7-8)6(3)4/h5-6H,1-4H3
InChIKeyBTURLNFMKBTTPU-UHFFFAOYSA-N
XLogP1.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.45
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 54448935?
The IUPAC name of CID 54448935 (CID 54448935) is not available.
What is the SMILES notation for CID 54448935?
The canonical SMILES for CID 54448935 is CC(C)N([B]Cl)C(C)C.
What is the InChIKey of CID 54448935?
The InChIKey is BTURLNFMKBTTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14BClN/c1-5(2)9(7-8)6(3)4/h5-6H,1-4H3.
What are the key properties of CID 54448935?
CID 54448935 has a molecular weight of 146.45 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 54448935 is sourced from PubChem (CID 54448935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).