CID 10868259

C9H19N2Se — CID 10868259

IUPAC—
SMILESCC(C)(C)/N=C(\[Se])NC(C)(C)C
InChIInChI=1S/C9H19N2Se/c1-8(2,3)10-7(12)11-9(4,5)6/h1-6H3,(H,10,11)
InChIKeyHNKMAMUPWDQBIZ-UHFFFAOYSA-N
MW234.22 g/mol
LogP1.70
Rot. Bonds

About CID 10868259

CID 10868259 (PubChem CID 10868259) has the molecular formula C9H19N2Se and a molecular weight of 234.22 g/mol.

Molecular Properties

Compound NameCID 10868259
PubChem CID10868259
Molecular FormulaC9H19N2Se
Molecular Weight234.22 g/mol
Exact Mass235.07
IUPAC Name—
SMILESCC(C)(C)/N=C(\[Se])NC(C)(C)C
InChIInChI=1S/C9H19N2Se/c1-8(2,3)10-7(12)11-9(4,5)6/h1-6H3,(H,10,11)
InChIKeyHNKMAMUPWDQBIZ-UHFFFAOYSA-N
XLogP1.70
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 10868259?
The IUPAC name of CID 10868259 (CID 10868259) is not available.
What is the SMILES notation for CID 10868259?
The canonical SMILES for CID 10868259 is CC(C)(C)/N=C(\[Se])NC(C)(C)C.
What is the InChIKey of CID 10868259?
The InChIKey is HNKMAMUPWDQBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N2Se/c1-8(2,3)10-7(12)11-9(4,5)6/h1-6H3,(H,10,11).
What are the key properties of CID 10868259?
CID 10868259 has a molecular weight of 234.22 g/mol, XLogP of 1.70, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10868259 is sourced from PubChem (CID 10868259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).