CID 66895763

C12H21BN — CID 66895763

IUPAC—
SMILESCC(C)C1=N[B]C(C(C)C)=C1C(C)C
InChIInChI=1S/C12H21BN/c1-7(2)10-11(8(3)4)13-14-12(10)9(5)6/h7-9H,1-6H3
InChIKeyBCIZXNQRCTWHMM-UHFFFAOYSA-N
MW190.12 g/mol
LogP3.28
Rot. Bonds3

About CID 66895763

CID 66895763 (PubChem CID 66895763) has the molecular formula C12H21BN and a molecular weight of 190.12 g/mol.

Molecular Properties

Compound NameCID 66895763
PubChem CID66895763
Molecular FormulaC12H21BN
Molecular Weight190.12 g/mol
Exact Mass190.18
IUPAC Name—
SMILESCC(C)C1=N[B]C(C(C)C)=C1C(C)C
InChIInChI=1S/C12H21BN/c1-7(2)10-11(8(3)4)13-14-12(10)9(5)6/h7-9H,1-6H3
InChIKeyBCIZXNQRCTWHMM-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 66895763?
The IUPAC name of CID 66895763 (CID 66895763) is not available.
What is the SMILES notation for CID 66895763?
The canonical SMILES for CID 66895763 is CC(C)C1=N[B]C(C(C)C)=C1C(C)C.
What is the InChIKey of CID 66895763?
The InChIKey is BCIZXNQRCTWHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21BN/c1-7(2)10-11(8(3)4)13-14-12(10)9(5)6/h7-9H,1-6H3.
What are the key properties of CID 66895763?
CID 66895763 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 66895763 is sourced from PubChem (CID 66895763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).