CID 67558397

C6H14BN2O — CID 67558397

IUPAC—
SMILESCO[B]N1CCC(N)CC1
InChIInChI=1S/C6H14BN2O/c1-10-7-9-4-2-6(8)3-5-9/h6H,2-5,8H2,1H3
InChIKeyGFMKCHANNZRPPU-UHFFFAOYSA-N
MW141.00 g/mol
LogP-0.41
Rot. Bonds2

About CID 67558397

CID 67558397 (PubChem CID 67558397) has the molecular formula C6H14BN2O and a molecular weight of 141.00 g/mol.

Molecular Properties

Compound NameCID 67558397
PubChem CID67558397
Molecular FormulaC6H14BN2O
Molecular Weight141.00 g/mol
Exact Mass141.12
IUPAC Name—
SMILESCO[B]N1CCC(N)CC1
InChIInChI=1S/C6H14BN2O/c1-10-7-9-4-2-6(8)3-5-9/h6H,2-5,8H2,1H3
InChIKeyGFMKCHANNZRPPU-UHFFFAOYSA-N
XLogP-0.41
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.00
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 67558397?
The IUPAC name of CID 67558397 (CID 67558397) is not available.
What is the SMILES notation for CID 67558397?
The canonical SMILES for CID 67558397 is CO[B]N1CCC(N)CC1.
What is the InChIKey of CID 67558397?
The InChIKey is GFMKCHANNZRPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14BN2O/c1-10-7-9-4-2-6(8)3-5-9/h6H,2-5,8H2,1H3.
What are the key properties of CID 67558397?
CID 67558397 has a molecular weight of 141.00 g/mol, XLogP of -0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67558397 is sourced from PubChem (CID 67558397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).