CID 135059790

C9H19N2Se — CID 135059790

IUPAC—
SMILESCCCC/N=C(\[Se])N(CC)CC
InChIInChI=1S/C9H19N2Se/c1-4-7-8-10-9(12)11(5-2)6-3/h4-8H2,1-3H3/b10-9-
InChIKeyAJDZUXHYCZOWBY-KTKRTIGZSA-N
MW234.22 g/mol
LogP1.65
Rot. Bonds5

About CID 135059790

CID 135059790 (PubChem CID 135059790) has the molecular formula C9H19N2Se and a molecular weight of 234.22 g/mol.

Molecular Properties

Compound NameCID 135059790
PubChem CID135059790
Molecular FormulaC9H19N2Se
Molecular Weight234.22 g/mol
Exact Mass235.07
IUPAC Name—
SMILESCCCC/N=C(\[Se])N(CC)CC
InChIInChI=1S/C9H19N2Se/c1-4-7-8-10-9(12)11(5-2)6-3/h4-8H2,1-3H3/b10-9-
InChIKeyAJDZUXHYCZOWBY-KTKRTIGZSA-N
XLogP1.65
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 135059790?
The IUPAC name of CID 135059790 (CID 135059790) is not available.
What is the SMILES notation for CID 135059790?
The canonical SMILES for CID 135059790 is CCCC/N=C(\[Se])N(CC)CC.
What is the InChIKey of CID 135059790?
The InChIKey is AJDZUXHYCZOWBY-KTKRTIGZSA-N. The full InChI is InChI=1S/C9H19N2Se/c1-4-7-8-10-9(12)11(5-2)6-3/h4-8H2,1-3H3/b10-9-.
What are the key properties of CID 135059790?
CID 135059790 has a molecular weight of 234.22 g/mol, XLogP of 1.65, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 135059790 is sourced from PubChem (CID 135059790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).