1,1,3,3-tetracyclohexylselenourea

C25H44N2Se — CID 134917279

IUPAC1,1,3,3-tetracyclohexylselenourea
SMILES[Se]=C(N(C1CCCCC1)C1CCCCC1)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C25H44N2Se/c28-25(26(21-13-5-1-6-14-21)22-15-7-2-8-16-22)27(23-17-9-3-10-18-23)24-19-11-4-12-20-24/h21-24H,1-20H2
InChIKeyRUWXKGKTZHGSFX-UHFFFAOYSA-N
MW451.60 g/mol
LogP6.18
Rot. Bonds6

About 1,1,3,3-tetracyclohexylselenourea

1,1,3,3-tetracyclohexylselenourea (PubChem CID 134917279) has the molecular formula C25H44N2Se and a molecular weight of 451.60 g/mol. Its IUPAC name is 1,1,3,3-tetracyclohexylselenourea.

Molecular Properties

Compound Name1,1,3,3-tetracyclohexylselenourea
PubChem CID134917279
Molecular FormulaC25H44N2Se
Molecular Weight451.60 g/mol
Exact Mass452.27
IUPAC Name1,1,3,3-tetracyclohexylselenourea
SMILES[Se]=C(N(C1CCCCC1)C1CCCCC1)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C25H44N2Se/c28-25(26(21-13-5-1-6-14-21)22-15-7-2-8-16-22)27(23-17-9-3-10-18-23)24-19-11-4-12-20-24/h21-24H,1-20H2
InChIKeyRUWXKGKTZHGSFX-UHFFFAOYSA-N
XLogP6.18
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.60
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 87476940
CID 87476940
1-N',1-N'-di(cyclobutyl)-1-N,1-N-dicyclohexylethene-1,1-diamine
CID 20530659
1,1,3,3-tetracyclohexylthiourea
CID 12935848
1-cycloheptyl-1,2,2-tricyclohexylhydrazine
CID 139397453
1,1,3,3-tetracyclopentylguanidine
CID 68836452
N,N-dicyclohexylcyclobutanecarboxamide
CID 841777
bis(N,N-dicyclohexylcarbamodithioate);molybdenum;disulfide
CID 173360149
N,N-dicyclohexylcyclohexanamine
CID 175770337
N-[1-[3,5-bis[1-(dicyclohexylamino)ethenyl]phenyl]ethenyl]-N-cyclohexylcyclohexanamine
CID 171722657
N,N-dicyclohexyl-2-iodoacetamide
CID 71405486
1,1-dicyclohexyl-3-cyclopropylurea
CID 116653816
N,N-dicyclopentylhydroxylamine
CID 87342737

Frequently Asked Questions

What is the IUPAC name of 1,1,3,3-tetracyclohexylselenourea?
The IUPAC name of 1,1,3,3-tetracyclohexylselenourea (CID 134917279) is 1,1,3,3-tetracyclohexylselenourea.
What is the SMILES notation for 1,1,3,3-tetracyclohexylselenourea?
The canonical SMILES for 1,1,3,3-tetracyclohexylselenourea is [Se]=C(N(C1CCCCC1)C1CCCCC1)N(C1CCCCC1)C1CCCCC1.
What is the InChIKey of 1,1,3,3-tetracyclohexylselenourea?
The InChIKey is RUWXKGKTZHGSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H44N2Se/c28-25(26(21-13-5-1-6-14-21)22-15-7-2-8-16-22)27(23-17-9-3-10-18-23)24-19-11-4-12-20-24/h21-24H,1-20H2.
What are the key properties of 1,1,3,3-tetracyclohexylselenourea?
1,1,3,3-tetracyclohexylselenourea has a molecular weight of 451.60 g/mol, XLogP of 6.18, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3-tetracyclohexylselenourea is sourced from PubChem (CID 134917279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).