CID 19803292

C12H21BN — CID 19803292

IUPAC—
SMILESCC(C)C1=NC(C(C)C)=C(C(C)C)[B]1
InChIInChI=1S/C12H21BN/c1-7(2)10-11(8(3)4)14-12(13-10)9(5)6/h7-9H,1-6H3
InChIKeyUCRCFTAEKDAKLB-UHFFFAOYSA-N
MW190.12 g/mol
LogP3.28
Rot. Bonds3

About CID 19803292

CID 19803292 (PubChem CID 19803292) has the molecular formula C12H21BN and a molecular weight of 190.12 g/mol.

Molecular Properties

Compound NameCID 19803292
PubChem CID19803292
Molecular FormulaC12H21BN
Molecular Weight190.12 g/mol
Exact Mass190.18
IUPAC Name—
SMILESCC(C)C1=NC(C(C)C)=C(C(C)C)[B]1
InChIInChI=1S/C12H21BN/c1-7(2)10-11(8(3)4)14-12(13-10)9(5)6/h7-9H,1-6H3
InChIKeyUCRCFTAEKDAKLB-UHFFFAOYSA-N
XLogP3.28
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.12
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 19803292?
The IUPAC name of CID 19803292 (CID 19803292) is not available.
What is the SMILES notation for CID 19803292?
The canonical SMILES for CID 19803292 is CC(C)C1=NC(C(C)C)=C(C(C)C)[B]1.
What is the InChIKey of CID 19803292?
The InChIKey is UCRCFTAEKDAKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21BN/c1-7(2)10-11(8(3)4)14-12(13-10)9(5)6/h7-9H,1-6H3.
What are the key properties of CID 19803292?
CID 19803292 has a molecular weight of 190.12 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 19803292 is sourced from PubChem (CID 19803292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).