(4R)-1-cyclohexyl-6-cyclohexylimino-4-ethyl-1,3-diazinan-2-one

C18H31N3O — CID 134920312

IUPAC(4R)-1-cyclohexyl-6-cyclohexylimino-4-ethyl-1,3-diazinan-2-one
SMILESCC[C@@H]1C/C(=N\C2CCCCC2)N(C2CCCCC2)C(=O)N1
InChIInChI=1S/C18H31N3O/c1-2-14-13-17(19-15-9-5-3-6-10-15)21(18(22)20-14)16-11-7-4-8-12-16/h14-16H,2-13H2,1H3,(H,20,22)/b19-17+/t14-/m1/s1
InChIKeyLXJYKVQTSVTPTL-UFOSLELVSA-N
MW305.47 g/mol
LogP4.24
Rot. Bonds3

About (4R)-1-cyclohexyl-6-cyclohexylimino-4-ethyl-1,3-diazinan-2-one

(4R)-1-cyclohexyl-6-cyclohexylimino-4-ethyl-1,3-diazinan-2-one (PubChem CID 134920312) has the molecular formula C18H31N3O and a molecular weight of 305.47 g/mol. Its IUPAC name is (4R)-1-cyclohexyl-6-cyclohexylimino-4-ethyl-1,3-diazinan-2-one.

Molecular Properties

Compound Name(4R)-1-cyclohexyl-6-cyclohexylimino-4-ethyl-1,3-diazinan-2-one
PubChem CID134920312
Molecular FormulaC18H31N3O
Molecular Weight305.47 g/mol
Exact Mass305.25
IUPAC Name(4R)-1-cyclohexyl-6-cyclohexylimino-4-ethyl-1,3-diazinan-2-one
SMILESCC[C@@H]1C/C(=N\C2CCCCC2)N(C2CCCCC2)C(=O)N1
InChIInChI=1S/C18H31N3O/c1-2-14-13-17(19-15-9-5-3-6-10-15)21(18(22)20-14)16-11-7-4-8-12-16/h14-16H,2-13H2,1H3,(H,20,22)/b19-17+/t14-/m1/s1
InChIKeyLXJYKVQTSVTPTL-UFOSLELVSA-N
XLogP4.24
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (4R)-1-cyclohexyl-6-cyclohexylimino-4-ethyl-1,3-diazinan-2-one with MolForge

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Related Compounds

3-cyclohexyl-6-(methylamino)-1,3,5-triazinane-2,4-dione
CID 23338139
(4E)-3-cyclohexyl-4-(3-cyclohexyl-2-cyclohexylimino-5-oxo-1,3-thiazolidin-4-ylidene)-2-cyclohexylimino-1,3-thiazolidin-5-one
CID 3003990
(5R)-5-[(2R)-butan-2-yl]-3-cyclohexylimidazolidine-2,4-dione
CID 71829300
2-cycloheptylimino-5-ethyl-1,3-thiazolidin-4-one
CID 135414360
(5S)-3-cyclopentyl-5-methylimidazolidine-2,4-dione
CID 131182792
1-cycloheptyl-5,5-diethyl-1,3-diazinane-2,4,6-trione
CID 115946696
1,3-dicyclohexyl-4,6-bis(cyclohexylimino)-5-iodo-1,3,5-diazaphosphinan-2-one
CID 102362855
2-[(5R)-3-cyclohexyl-2-cyclohexylimino-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 1280324
3-cyclohexyl-2-cyclohexylimino-5-[(4-ethylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 4017105
8-cyclohexyl-4-cyclohexylimino-7-methyl-1,3,8-triazaspiro[4.5]decan-2-one
CID 137147848
1-cyclohexyl-2-cyclopropyl-5-ethylpiperazine
CID 82936170
1-cycloheptyl-3-ethylpiperazine-2,5-dione
CID 64960288

Frequently Asked Questions

What is the IUPAC name of (4R)-1-cyclohexyl-6-cyclohexylimino-4-ethyl-1,3-diazinan-2-one?
The IUPAC name of (4R)-1-cyclohexyl-6-cyclohexylimino-4-ethyl-1,3-diazinan-2-one (CID 134920312) is (4R)-1-cyclohexyl-6-cyclohexylimino-4-ethyl-1,3-diazinan-2-one.
What is the SMILES notation for (4R)-1-cyclohexyl-6-cyclohexylimino-4-ethyl-1,3-diazinan-2-one?
The canonical SMILES for (4R)-1-cyclohexyl-6-cyclohexylimino-4-ethyl-1,3-diazinan-2-one is CC[C@@H]1C/C(=N\C2CCCCC2)N(C2CCCCC2)C(=O)N1.
What is the InChIKey of (4R)-1-cyclohexyl-6-cyclohexylimino-4-ethyl-1,3-diazinan-2-one?
The InChIKey is LXJYKVQTSVTPTL-UFOSLELVSA-N. The full InChI is InChI=1S/C18H31N3O/c1-2-14-13-17(19-15-9-5-3-6-10-15)21(18(22)20-14)16-11-7-4-8-12-16/h14-16H,2-13H2,1H3,(H,20,22)/b19-17+/t14-/m1/s1.
What are the key properties of (4R)-1-cyclohexyl-6-cyclohexylimino-4-ethyl-1,3-diazinan-2-one?
(4R)-1-cyclohexyl-6-cyclohexylimino-4-ethyl-1,3-diazinan-2-one has a molecular weight of 305.47 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-cyclohexyl-6-cyclohexylimino-4-ethyl-1,3-diazinan-2-one is sourced from PubChem (CID 134920312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).