3,7-dicyclohexyl-1,5,3,7-diselenadiazocane

C16H30N2Se2 — CID 11112323

IUPAC3,7-dicyclohexyl-1,5,3,7-diselenadiazocane
SMILESC1CCC(N2C[Se]CN(C3CCCCC3)C[Se]C2)CC1
InChIInChI=1S/C16H30N2Se2/c1-3-7-15(8-4-1)17-11-19-13-18(14-20-12-17)16-9-5-2-6-10-16/h15-16H,1-14H2
InChIKeyWAIZNOQBDBLWMQ-UHFFFAOYSA-N
MW408.35 g/mol
LogP2.51
Rot. Bonds2

About 3,7-dicyclohexyl-1,5,3,7-diselenadiazocane

3,7-dicyclohexyl-1,5,3,7-diselenadiazocane (PubChem CID 11112323) has the molecular formula C16H30N2Se2 and a molecular weight of 408.35 g/mol. Its IUPAC name is 3,7-dicyclohexyl-1,5,3,7-diselenadiazocane.

Molecular Properties

Compound Name3,7-dicyclohexyl-1,5,3,7-diselenadiazocane
PubChem CID11112323
Molecular FormulaC16H30N2Se2
Molecular Weight408.35 g/mol
Exact Mass410.07
IUPAC Name3,7-dicyclohexyl-1,5,3,7-diselenadiazocane
SMILESC1CCC(N2C[Se]CN(C3CCCCC3)C[Se]C2)CC1
InChIInChI=1S/C16H30N2Se2/c1-3-7-15(8-4-1)17-11-19-13-18(14-20-12-17)16-9-5-2-6-10-16/h15-16H,1-14H2
InChIKeyWAIZNOQBDBLWMQ-UHFFFAOYSA-N
XLogP2.51
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.35
LogP ≤ 52.51
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

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1-cyclodecyl-3-methylazetidine
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Frequently Asked Questions

What is the IUPAC name of 3,7-dicyclohexyl-1,5,3,7-diselenadiazocane?
The IUPAC name of 3,7-dicyclohexyl-1,5,3,7-diselenadiazocane (CID 11112323) is 3,7-dicyclohexyl-1,5,3,7-diselenadiazocane.
What is the SMILES notation for 3,7-dicyclohexyl-1,5,3,7-diselenadiazocane?
The canonical SMILES for 3,7-dicyclohexyl-1,5,3,7-diselenadiazocane is C1CCC(N2C[Se]CN(C3CCCCC3)C[Se]C2)CC1.
What is the InChIKey of 3,7-dicyclohexyl-1,5,3,7-diselenadiazocane?
The InChIKey is WAIZNOQBDBLWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2Se2/c1-3-7-15(8-4-1)17-11-19-13-18(14-20-12-17)16-9-5-2-6-10-16/h15-16H,1-14H2.
What are the key properties of 3,7-dicyclohexyl-1,5,3,7-diselenadiazocane?
3,7-dicyclohexyl-1,5,3,7-diselenadiazocane has a molecular weight of 408.35 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dicyclohexyl-1,5,3,7-diselenadiazocane is sourced from PubChem (CID 11112323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).