CID 87476940

C13H22NOSe — CID 87476940

IUPAC—
SMILESO=C([Se])N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C13H22NOSe/c15-13(16)14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-12H,1-10H2
InChIKeyZLSSMINSBXVYKC-UHFFFAOYSA-N
MW287.28 g/mol
LogP3.24
Rot. Bonds2

About CID 87476940

CID 87476940 (PubChem CID 87476940) has the molecular formula C13H22NOSe and a molecular weight of 287.28 g/mol.

Molecular Properties

Compound NameCID 87476940
PubChem CID87476940
Molecular FormulaC13H22NOSe
Molecular Weight287.28 g/mol
Exact Mass288.09
IUPAC Name—
SMILESO=C([Se])N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C13H22NOSe/c15-13(16)14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-12H,1-10H2
InChIKeyZLSSMINSBXVYKC-UHFFFAOYSA-N
XLogP3.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze CID 87476940 with MolForge

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

Launch Full Analysis

Related Compounds

1,1,3,3-tetracyclohexylselenourea
CID 134917279
N,N-dicyclohexylcyclobutanecarboxamide
CID 841777
N,N-dicyclohexyl-2-iodoacetamide
CID 71405486
1,1-dicyclohexyl-3-cyclopropylurea
CID 116653816
1-N',1-N'-di(cyclobutyl)-1-N,1-N-dicyclohexylethene-1,1-diamine
CID 20530659
1,1,3,3-tetracyclohexylthiourea
CID 12935848
[carboxy(cyclohexyl)amino]methyl-cyclohexylcarbamic acid
CID 151845320
1-cycloheptyl-1,2,2-tricyclohexylhydrazine
CID 139397453
N,N-dicyclohexylcyclopenta-2,4-diene-1-carboxamide
CID 101089270
1-amino-N,N-dicyclohexylcyclopropane-1-carboxamide
CID 65465472
4-(dicyclohexylamino)-4-oxobutanoate
CID 40784781
N',N'-dicyclohexyl-N-hydroxypropanediamide
CID 3049615

Frequently Asked Questions

What is the IUPAC name of CID 87476940?
The IUPAC name of CID 87476940 (CID 87476940) is not available.
What is the SMILES notation for CID 87476940?
The canonical SMILES for CID 87476940 is O=C([Se])N(C1CCCCC1)C1CCCCC1.
What is the InChIKey of CID 87476940?
The InChIKey is ZLSSMINSBXVYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22NOSe/c15-13(16)14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-12H,1-10H2.
What are the key properties of CID 87476940?
CID 87476940 has a molecular weight of 287.28 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87476940 is sourced from PubChem (CID 87476940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).