CID 89018099

C8H15BN2 — CID 89018099

IUPAC—
SMILES[B]N1CC[C@H](N2CCCC2)C1
InChIInChI=1S/C8H15BN2/c9-11-6-3-8(7-11)10-4-1-2-5-10/h8H,1-7H2/t8-/m0/s1
InChIKeyVTQWRPQLYVFWIR-QMMMGPOBSA-N
MW150.03 g/mol
LogP0.24
Rot. Bonds1

About CID 89018099

CID 89018099 (PubChem CID 89018099) has the molecular formula C8H15BN2 and a molecular weight of 150.03 g/mol.

Molecular Properties

Compound NameCID 89018099
PubChem CID89018099
Molecular FormulaC8H15BN2
Molecular Weight150.03 g/mol
Exact Mass150.13
IUPAC Name—
SMILES[B]N1CC[C@H](N2CCCC2)C1
InChIInChI=1S/C8H15BN2/c9-11-6-3-8(7-11)10-4-1-2-5-10/h8H,1-7H2/t8-/m0/s1
InChIKeyVTQWRPQLYVFWIR-QMMMGPOBSA-N
XLogP0.24
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.03
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze CID 89018099 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 89018099?
The IUPAC name of CID 89018099 (CID 89018099) is not available.
What is the SMILES notation for CID 89018099?
The canonical SMILES for CID 89018099 is [B]N1CC[C@H](N2CCCC2)C1.
What is the InChIKey of CID 89018099?
The InChIKey is VTQWRPQLYVFWIR-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H15BN2/c9-11-6-3-8(7-11)10-4-1-2-5-10/h8H,1-7H2/t8-/m0/s1.
What are the key properties of CID 89018099?
CID 89018099 has a molecular weight of 150.03 g/mol, XLogP of 0.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89018099 is sourced from PubChem (CID 89018099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).