1,3-dibutyl-1,3-dicyclohexylselenourea

C21H40N2Se — CID 134917415

IUPAC1,3-dibutyl-1,3-dicyclohexylselenourea
SMILESCCCCN(C(=[Se])N(CCCC)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C21H40N2Se/c1-3-5-17-22(19-13-9-7-10-14-19)21(24)23(18-6-4-2)20-15-11-8-12-16-20/h19-20H,3-18H2,1-2H3
InChIKeyPHEJOLXELRRZCT-UHFFFAOYSA-N
MW399.53 g/mol
LogP5.11
Rot. Bonds10

About 1,3-dibutyl-1,3-dicyclohexylselenourea

1,3-dibutyl-1,3-dicyclohexylselenourea (PubChem CID 134917415) has the molecular formula C21H40N2Se and a molecular weight of 399.53 g/mol. Its IUPAC name is 1,3-dibutyl-1,3-dicyclohexylselenourea.

Molecular Properties

Compound Name1,3-dibutyl-1,3-dicyclohexylselenourea
PubChem CID134917415
Molecular FormulaC21H40N2Se
Molecular Weight399.53 g/mol
Exact Mass400.24
IUPAC Name1,3-dibutyl-1,3-dicyclohexylselenourea
SMILESCCCCN(C(=[Se])N(CCCC)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C21H40N2Se/c1-3-5-17-22(19-13-9-7-10-14-19)21(24)23(18-6-4-2)20-15-11-8-12-16-20/h19-20H,3-18H2,1-2H3
InChIKeyPHEJOLXELRRZCT-UHFFFAOYSA-N
XLogP5.11
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.53
LogP ≤ 55.11
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

1-Cyclohexyl-1-isopropyl-3,3-dimethylselenourea
CID 24776961
1,1,3,3-Tetracyclohexylselenourea
CID 134917279
[cyclohexyl(methyl)carbamoselenoyl] N-cyclohexyl-N-methylcarbamodiselenoate
CID 340106
1,3-Dicyclohexyl-1,3-dimethylselenourea
CID 12787622
bis-(N-methyl-N-cyclohexylamino)octane
CID 129780199
1,3-Dicyclohexyl-1,3-diethylselenourea
CID 134917218
Cyclohexyl-[5-[cyclohexyl(dimethyl)azaniumyl]pentyl]-dimethylazanium
CID 3094114
N,N'-dicyclohexyl-N,N'-dimethylmethanediamine
CID 15307711
N,N'-dicyclohexyl-N,N'-diethylmethanediamine
CID 15930828
1,3-Dibutyl-5-cyclohexyl-1,3,5-triazinane
CID 19832453
N-Cyclohexyl-N-[(piperidin-1-yl)methyl]cyclohexanamine
CID 57193338
Cyclohexyl-[4-[cyclohexyl(dimethyl)azaniumyl]butyl]-dimethylazanium
CID 57604578

Frequently Asked Questions

What is the IUPAC name of 1,3-dibutyl-1,3-dicyclohexylselenourea?
The IUPAC name of 1,3-dibutyl-1,3-dicyclohexylselenourea (CID 134917415) is 1,3-dibutyl-1,3-dicyclohexylselenourea.
What is the SMILES notation for 1,3-dibutyl-1,3-dicyclohexylselenourea?
The canonical SMILES for 1,3-dibutyl-1,3-dicyclohexylselenourea is CCCCN(C(=[Se])N(CCCC)C1CCCCC1)C1CCCCC1.
What is the InChIKey of 1,3-dibutyl-1,3-dicyclohexylselenourea?
The InChIKey is PHEJOLXELRRZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40N2Se/c1-3-5-17-22(19-13-9-7-10-14-19)21(24)23(18-6-4-2)20-15-11-8-12-16-20/h19-20H,3-18H2,1-2H3.
What are the key properties of 1,3-dibutyl-1,3-dicyclohexylselenourea?
1,3-dibutyl-1,3-dicyclohexylselenourea has a molecular weight of 399.53 g/mol, XLogP of 5.11, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibutyl-1,3-dicyclohexylselenourea is sourced from PubChem (CID 134917415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).