CID 11052814

C7H15N2Se — CID 11052814

IUPAC—
SMILESCCCC/N=C(\[Se])N(C)C
InChIInChI=1S/C7H15N2Se/c1-4-5-6-8-7(10)9(2)3/h4-6H2,1-3H3/b8-7-
InChIKeyIMXQICFMMQUAHT-FPLPWBNLSA-N
MW206.17 g/mol
LogP0.87
Rot. Bonds3

About CID 11052814

CID 11052814 (PubChem CID 11052814) has the molecular formula C7H15N2Se and a molecular weight of 206.17 g/mol.

Molecular Properties

Compound NameCID 11052814
PubChem CID11052814
Molecular FormulaC7H15N2Se
Molecular Weight206.17 g/mol
Exact Mass207.04
IUPAC Name—
SMILESCCCC/N=C(\[Se])N(C)C
InChIInChI=1S/C7H15N2Se/c1-4-5-6-8-7(10)9(2)3/h4-6H2,1-3H3/b8-7-
InChIKeyIMXQICFMMQUAHT-FPLPWBNLSA-N
XLogP0.87
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.17
LogP ≤ 50.87
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'}

Analyze CID 11052814 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 11052814?
The IUPAC name of CID 11052814 (CID 11052814) is not available.
What is the SMILES notation for CID 11052814?
The canonical SMILES for CID 11052814 is CCCC/N=C(\[Se])N(C)C.
What is the InChIKey of CID 11052814?
The InChIKey is IMXQICFMMQUAHT-FPLPWBNLSA-N. The full InChI is InChI=1S/C7H15N2Se/c1-4-5-6-8-7(10)9(2)3/h4-6H2,1-3H3/b8-7-.
What are the key properties of CID 11052814?
CID 11052814 has a molecular weight of 206.17 g/mol, XLogP of 0.87, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11052814 is sourced from PubChem (CID 11052814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).