CID 101158732

C17H24NSe — CID 101158732

IUPAC—
SMILES[CH2][C@@H]1CCC[C@H]2CCC[C@@H](C[Se]c3ccccc3)N21
InChIInChI=1S/C17H24NSe/c1-14-7-5-8-15-9-6-10-16(18(14)15)13-19-17-11-3-2-4-12-17/h2-4,11-12,14-16H,1,5-10,13H2/t14-,15+,16+/m1/s1
InChIKeyJRLMKGJEDYQBDF-PMPSAXMXSA-N
MW321.35 g/mol
LogP3.04
Rot. Bonds3

About CID 101158732

CID 101158732 (PubChem CID 101158732) has the molecular formula C17H24NSe and a molecular weight of 321.35 g/mol.

Molecular Properties

Compound NameCID 101158732
PubChem CID101158732
Molecular FormulaC17H24NSe
Molecular Weight321.35 g/mol
Exact Mass322.11
IUPAC Name—
SMILES[CH2][C@@H]1CCC[C@H]2CCC[C@@H](C[Se]c3ccccc3)N21
InChIInChI=1S/C17H24NSe/c1-14-7-5-8-15-9-6-10-16(18(14)15)13-19-17-11-3-2-4-12-17/h2-4,11-12,14-16H,1,5-10,13H2/t14-,15+,16+/m1/s1
InChIKeyJRLMKGJEDYQBDF-PMPSAXMXSA-N
XLogP3.04
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze CID 101158732 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 101158732?
The IUPAC name of CID 101158732 (CID 101158732) is not available.
What is the SMILES notation for CID 101158732?
The canonical SMILES for CID 101158732 is [CH2][C@@H]1CCC[C@H]2CCC[C@@H](C[Se]c3ccccc3)N21.
What is the InChIKey of CID 101158732?
The InChIKey is JRLMKGJEDYQBDF-PMPSAXMXSA-N. The full InChI is InChI=1S/C17H24NSe/c1-14-7-5-8-15-9-6-10-16(18(14)15)13-19-17-11-3-2-4-12-17/h2-4,11-12,14-16H,1,5-10,13H2/t14-,15+,16+/m1/s1.
What are the key properties of CID 101158732?
CID 101158732 has a molecular weight of 321.35 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101158732 is sourced from PubChem (CID 101158732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).