CID 174118895

C14H25BN2 — CID 174118895

IUPAC—
SMILES[B]C1(C)CCCC2C1CC/C(=N\C)N2C(C)C
InChIInChI=1S/C14H25BN2/c1-10(2)17-12-6-5-9-14(3,15)11(12)7-8-13(17)16-4/h10-12H,5-9H2,1-4H3/b16-13+
InChIKeyPIJVELJDFUEMLM-DTQAZKPQSA-N
MW232.18 g/mol
LogP3.03
Rot. Bonds1

About CID 174118895

CID 174118895 (PubChem CID 174118895) has the molecular formula C14H25BN2 and a molecular weight of 232.18 g/mol.

Molecular Properties

Compound NameCID 174118895
PubChem CID174118895
Molecular FormulaC14H25BN2
Molecular Weight232.18 g/mol
Exact Mass232.21
IUPAC Name—
SMILES[B]C1(C)CCCC2C1CC/C(=N\C)N2C(C)C
InChIInChI=1S/C14H25BN2/c1-10(2)17-12-6-5-9-14(3,15)11(12)7-8-13(17)16-4/h10-12H,5-9H2,1-4H3/b16-13+
InChIKeyPIJVELJDFUEMLM-DTQAZKPQSA-N
XLogP3.03
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.18
LogP ≤ 53.03
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 174118895?
The IUPAC name of CID 174118895 (CID 174118895) is not available.
What is the SMILES notation for CID 174118895?
The canonical SMILES for CID 174118895 is [B]C1(C)CCCC2C1CC/C(=N\C)N2C(C)C.
What is the InChIKey of CID 174118895?
The InChIKey is PIJVELJDFUEMLM-DTQAZKPQSA-N. The full InChI is InChI=1S/C14H25BN2/c1-10(2)17-12-6-5-9-14(3,15)11(12)7-8-13(17)16-4/h10-12H,5-9H2,1-4H3/b16-13+.
What are the key properties of CID 174118895?
CID 174118895 has a molecular weight of 232.18 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174118895 is sourced from PubChem (CID 174118895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).