cyano(tricyclohexyl)boranuide

C19H33BN- — CID 13158031

IUPACcyano(tricyclohexyl)boranuide
SMILESN#C[B-](C1CCCCC1)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C19H33BN/c21-16-20(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h17-19H,1-15H2/q-1
InChIKeyFNYSYYHACRQRSN-UHFFFAOYSA-N
MW286.29 g/mol
LogP6.50
Rot. Bonds3

About cyano(tricyclohexyl)boranuide

cyano(tricyclohexyl)boranuide (PubChem CID 13158031) has the molecular formula C19H33BN- and a molecular weight of 286.29 g/mol. Its IUPAC name is cyano(tricyclohexyl)boranuide.

Molecular Properties

Compound Namecyano(tricyclohexyl)boranuide
PubChem CID13158031
Molecular FormulaC19H33BN-
Molecular Weight286.29 g/mol
Exact Mass286.27
IUPAC Namecyano(tricyclohexyl)boranuide
SMILESN#C[B-](C1CCCCC1)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C19H33BN/c21-16-20(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h17-19H,1-15H2/q-1
InChIKeyFNYSYYHACRQRSN-UHFFFAOYSA-N
XLogP6.50
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.29
LogP ≤ 56.50
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 cyano(tricyclohexyl)boranuide?
The IUPAC name of cyano(tricyclohexyl)boranuide (CID 13158031) is cyano(tricyclohexyl)boranuide.
What is the SMILES notation for cyano(tricyclohexyl)boranuide?
The canonical SMILES for cyano(tricyclohexyl)boranuide is N#C[B-](C1CCCCC1)(C1CCCCC1)C1CCCCC1.
What is the InChIKey of cyano(tricyclohexyl)boranuide?
The InChIKey is FNYSYYHACRQRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33BN/c21-16-20(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h17-19H,1-15H2/q-1.
What are the key properties of cyano(tricyclohexyl)boranuide?
cyano(tricyclohexyl)boranuide has a molecular weight of 286.29 g/mol, XLogP of 6.50, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyano(tricyclohexyl)boranuide is sourced from PubChem (CID 13158031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).