1,3-dicyclohexyl-1,3-diethylselenourea

C17H32N2Se — CID 134917218

IUPAC1,3-dicyclohexyl-1,3-diethylselenourea
SMILESCCN(C(=[Se])N(CC)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C17H32N2Se/c1-3-18(15-11-7-5-8-12-15)17(20)19(4-2)16-13-9-6-10-14-16/h15-16H,3-14H2,1-2H3
InChIKeyKXJYAIOCYNQUNQ-UHFFFAOYSA-N
MW343.42 g/mol
LogP3.55
Rot. Bonds6

About 1,3-dicyclohexyl-1,3-diethylselenourea

1,3-dicyclohexyl-1,3-diethylselenourea (PubChem CID 134917218) has the molecular formula C17H32N2Se and a molecular weight of 343.42 g/mol. Its IUPAC name is 1,3-dicyclohexyl-1,3-diethylselenourea.

Molecular Properties

Compound Name1,3-dicyclohexyl-1,3-diethylselenourea
PubChem CID134917218
Molecular FormulaC17H32N2Se
Molecular Weight343.42 g/mol
Exact Mass344.17
IUPAC Name1,3-dicyclohexyl-1,3-diethylselenourea
SMILESCCN(C(=[Se])N(CC)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C17H32N2Se/c1-3-18(15-11-7-5-8-12-15)17(20)19(4-2)16-13-9-6-10-14-16/h15-16H,3-14H2,1-2H3
InChIKeyKXJYAIOCYNQUNQ-UHFFFAOYSA-N
XLogP3.55
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 53.55
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-diethylselenourea?
The IUPAC name of 1,3-dicyclohexyl-1,3-diethylselenourea (CID 134917218) is 1,3-dicyclohexyl-1,3-diethylselenourea.
What is the SMILES notation for 1,3-dicyclohexyl-1,3-diethylselenourea?
The canonical SMILES for 1,3-dicyclohexyl-1,3-diethylselenourea is CCN(C(=[Se])N(CC)C1CCCCC1)C1CCCCC1.
What is the InChIKey of 1,3-dicyclohexyl-1,3-diethylselenourea?
The InChIKey is KXJYAIOCYNQUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2Se/c1-3-18(15-11-7-5-8-12-15)17(20)19(4-2)16-13-9-6-10-14-16/h15-16H,3-14H2,1-2H3.
What are the key properties of 1,3-dicyclohexyl-1,3-diethylselenourea?
1,3-dicyclohexyl-1,3-diethylselenourea has a molecular weight of 343.42 g/mol, XLogP of 3.55, 6 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-diethylselenourea is sourced from PubChem (CID 134917218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).