1,3-dicyclohexyl-1,3-dimethylselenourea

C15H28N2Se — CID 12787622

IUPAC1,3-dicyclohexyl-1,3-dimethylselenourea
SMILESCN(C(=[Se])N(C)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C15H28N2Se/c1-16(13-9-5-3-6-10-13)15(18)17(2)14-11-7-4-8-12-14/h13-14H,3-12H2,1-2H3
InChIKeyLMJYHPVSKRPZPY-UHFFFAOYSA-N
MW315.36 g/mol
LogP2.77
Rot. Bonds4

About 1,3-dicyclohexyl-1,3-dimethylselenourea

1,3-dicyclohexyl-1,3-dimethylselenourea (PubChem CID 12787622) has the molecular formula C15H28N2Se and a molecular weight of 315.36 g/mol. Its IUPAC name is 1,3-dicyclohexyl-1,3-dimethylselenourea.

Molecular Properties

Compound Name1,3-dicyclohexyl-1,3-dimethylselenourea
PubChem CID12787622
Molecular FormulaC15H28N2Se
Molecular Weight315.36 g/mol
Exact Mass316.14
IUPAC Name1,3-dicyclohexyl-1,3-dimethylselenourea
SMILESCN(C(=[Se])N(C)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C15H28N2Se/c1-16(13-9-5-3-6-10-13)15(18)17(2)14-11-7-4-8-12-14/h13-14H,3-12H2,1-2H3
InChIKeyLMJYHPVSKRPZPY-UHFFFAOYSA-N
XLogP2.77
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-dicyclohexyl-1,3-dimethylselenourea?
The IUPAC name of 1,3-dicyclohexyl-1,3-dimethylselenourea (CID 12787622) is 1,3-dicyclohexyl-1,3-dimethylselenourea.
What is the SMILES notation for 1,3-dicyclohexyl-1,3-dimethylselenourea?
The canonical SMILES for 1,3-dicyclohexyl-1,3-dimethylselenourea is CN(C(=[Se])N(C)C1CCCCC1)C1CCCCC1.
What is the InChIKey of 1,3-dicyclohexyl-1,3-dimethylselenourea?
The InChIKey is LMJYHPVSKRPZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2Se/c1-16(13-9-5-3-6-10-13)15(18)17(2)14-11-7-4-8-12-14/h13-14H,3-12H2,1-2H3.
What are the key properties of 1,3-dicyclohexyl-1,3-dimethylselenourea?
1,3-dicyclohexyl-1,3-dimethylselenourea has a molecular weight of 315.36 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dicyclohexyl-1,3-dimethylselenourea is sourced from PubChem (CID 12787622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).