CID 156795122

C15H31BN2 — CID 156795122

IUPAC—
SMILESCC.CC.[B]C1CCCC2C1CC/C(=N\C)N2C
InChIInChI=1S/C11H19BN2.2C2H6/c1-13-11-7-6-8-9(12)4-3-5-10(8)14(11)2;2*1-2/h8-10H,3-7H2,1-2H3;2*1-2H3/b13-11+;;
InChIKeyFYANNYYVBNQIHI-UAIOKUCGSA-N
MW250.24 g/mol
LogP3.92
Rot. Bonds

About CID 156795122

CID 156795122 (PubChem CID 156795122) has the molecular formula C15H31BN2 and a molecular weight of 250.24 g/mol.

Molecular Properties

Compound NameCID 156795122
PubChem CID156795122
Molecular FormulaC15H31BN2
Molecular Weight250.24 g/mol
Exact Mass250.26
IUPAC Name—
SMILESCC.CC.[B]C1CCCC2C1CC/C(=N\C)N2C
InChIInChI=1S/C11H19BN2.2C2H6/c1-13-11-7-6-8-9(12)4-3-5-10(8)14(11)2;2*1-2/h8-10H,3-7H2,1-2H3;2*1-2H3/b13-11+;;
InChIKeyFYANNYYVBNQIHI-UAIOKUCGSA-N
XLogP3.92
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.24
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 156795122?
The IUPAC name of CID 156795122 (CID 156795122) is not available.
What is the SMILES notation for CID 156795122?
The canonical SMILES for CID 156795122 is CC.CC.[B]C1CCCC2C1CC/C(=N\C)N2C.
What is the InChIKey of CID 156795122?
The InChIKey is FYANNYYVBNQIHI-UAIOKUCGSA-N. The full InChI is InChI=1S/C11H19BN2.2C2H6/c1-13-11-7-6-8-9(12)4-3-5-10(8)14(11)2;2*1-2/h8-10H,3-7H2,1-2H3;2*1-2H3/b13-11+;;.
What are the key properties of CID 156795122?
CID 156795122 has a molecular weight of 250.24 g/mol, XLogP of 3.92, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 156795122 is sourced from PubChem (CID 156795122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).