5-(dicyclohexylamino)-1,3-diazinane-2,4-dione

C16H27N3O2 — CID 73379803

IUPAC5-(dicyclohexylamino)-1,3-diazinane-2,4-dione
SMILESO=C1NCC(N(C2CCCCC2)C2CCCCC2)C(=O)N1
InChIInChI=1S/C16H27N3O2/c20-15-14(11-17-16(21)18-15)19(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h12-14H,1-11H2,(H2,17,18,20,21)
InChIKeyZKXJSEPEVBGNIJ-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.16
Rot. Bonds3

About 5-(dicyclohexylamino)-1,3-diazinane-2,4-dione

5-(dicyclohexylamino)-1,3-diazinane-2,4-dione (PubChem CID 73379803) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 5-(dicyclohexylamino)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name5-(dicyclohexylamino)-1,3-diazinane-2,4-dione
PubChem CID73379803
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name5-(dicyclohexylamino)-1,3-diazinane-2,4-dione
SMILESO=C1NCC(N(C2CCCCC2)C2CCCCC2)C(=O)N1
InChIInChI=1S/C16H27N3O2/c20-15-14(11-17-16(21)18-15)19(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h12-14H,1-11H2,(H2,17,18,20,21)
InChIKeyZKXJSEPEVBGNIJ-UHFFFAOYSA-N
XLogP2.16
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[bis(2-chloroethyl)amino]-1,3-diazinane-2,4-dione
CID 45036958
N,N-dicyclohexylcyclohexanamine
CID 175770337
5-iodo-1,3-diazinane-2,4-dione
CID 1283
5-methyl-(213C,1,3-14N2)1,3-diazinane-2,4-dione
CID 10654245
4-[di(cyclooctyl)amino]cyclohexan-1-one
CID 138676674
4-cycloheptylimidazolidin-2-one
CID 105440190
[(5S)-2,4-dioxo-1,3-diazinan-5-yl]boronic acid
CID 99773061
5-nitro-1,3-diazinane-2,4-dione
CID 15858687
N,N-dicyclohexylpyrrolidin-3-amine
CID 78989096
3-cyclohexylpropyl-(2-oxoazetidin-3-yl)carbamic acid
CID 90424416
2-[cycloheptyl(methyl)amino]cycloheptan-1-one
CID 60863113
(5S)-5-(1-methylcyclohexyl)imidazolidine-2,4-dione
CID 97184734

Frequently Asked Questions

What is the IUPAC name of 5-(dicyclohexylamino)-1,3-diazinane-2,4-dione?
The IUPAC name of 5-(dicyclohexylamino)-1,3-diazinane-2,4-dione (CID 73379803) is 5-(dicyclohexylamino)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 5-(dicyclohexylamino)-1,3-diazinane-2,4-dione?
The canonical SMILES for 5-(dicyclohexylamino)-1,3-diazinane-2,4-dione is O=C1NCC(N(C2CCCCC2)C2CCCCC2)C(=O)N1.
What is the InChIKey of 5-(dicyclohexylamino)-1,3-diazinane-2,4-dione?
The InChIKey is ZKXJSEPEVBGNIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c20-15-14(11-17-16(21)18-15)19(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h12-14H,1-11H2,(H2,17,18,20,21).
What are the key properties of 5-(dicyclohexylamino)-1,3-diazinane-2,4-dione?
5-(dicyclohexylamino)-1,3-diazinane-2,4-dione has a molecular weight of 293.41 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dicyclohexylamino)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 73379803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).