(4R,5R)-N,3-dicyclohexyl-4,5-dimethyl-1,3-oxazolidin-2-imine

C17H30N2O — CID 14868431

IUPAC(4R,5R)-N,3-dicyclohexyl-4,5-dimethyl-1,3-oxazolidin-2-imine
SMILESC[C@@H]1[C@@H](C)O/C(=N\C2CCCCC2)N1C1CCCCC1
InChIInChI=1S/C17H30N2O/c1-13-14(2)20-17(18-15-9-5-3-6-10-15)19(13)16-11-7-4-8-12-16/h13-16H,3-12H2,1-2H3/b18-17-/t13-,14-/m1/s1
InChIKeyOZBAFYBTDOPEJS-NERIXLHVSA-N
MW278.44 g/mol
LogP4.12
Rot. Bonds2

About (4R,5R)-N,3-dicyclohexyl-4,5-dimethyl-1,3-oxazolidin-2-imine

(4R,5R)-N,3-dicyclohexyl-4,5-dimethyl-1,3-oxazolidin-2-imine (PubChem CID 14868431) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is (4R,5R)-N,3-dicyclohexyl-4,5-dimethyl-1,3-oxazolidin-2-imine.

Molecular Properties

Compound Name(4R,5R)-N,3-dicyclohexyl-4,5-dimethyl-1,3-oxazolidin-2-imine
PubChem CID14868431
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name(4R,5R)-N,3-dicyclohexyl-4,5-dimethyl-1,3-oxazolidin-2-imine
SMILESC[C@@H]1[C@@H](C)O/C(=N\C2CCCCC2)N1C1CCCCC1
InChIInChI=1S/C17H30N2O/c1-13-14(2)20-17(18-15-9-5-3-6-10-15)19(13)16-11-7-4-8-12-16/h13-16H,3-12H2,1-2H3/b18-17-/t13-,14-/m1/s1
InChIKeyOZBAFYBTDOPEJS-NERIXLHVSA-N
XLogP4.12
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4R,5R)-N,3-dicyclohexyl-4,5-dimethyl-1,3-oxazolidin-2-imine with MolForge

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Related Compounds

N,3-dicyclohexyl-1,3-oxazolidin-2-imine;hydrochloride
CID 21523602
N-cyclohexyl-N-ethyl-4,5-dihydro-1,3-oxazol-2-amine
CID 70114480
(4R,5S)-N,3-dibutyl-4,5-dimethyl-1,3-oxazolidin-2-imine
CID 14868427
(4R,5R)-N,3-dibutyl-4,5-dimethyl-1,3-oxazolidin-2-imine
CID 14868428
(4R,5S)-N,3-dicyclohexyl-4,5-dimethyl-1,3-oxazolidin-2-imine
CID 14868430
N,3-dicyclohexyl-1,3-oxazolidin-2-imine
CID 21523603
(4S,5S)-N,3-dibutyl-4,5-dimethyl-1,3-oxazolidin-2-imine
CID 21779900
(4S,5S)-N,3-dicyclohexyl-4,5-dimethyl-1,3-oxazolidin-2-imine
CID 21779901
N'-cyclohexyl-3-methoxypyrrolidine-1-carboximidamide
CID 103534602

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-N,3-dicyclohexyl-4,5-dimethyl-1,3-oxazolidin-2-imine?
The IUPAC name of (4R,5R)-N,3-dicyclohexyl-4,5-dimethyl-1,3-oxazolidin-2-imine (CID 14868431) is (4R,5R)-N,3-dicyclohexyl-4,5-dimethyl-1,3-oxazolidin-2-imine.
What is the SMILES notation for (4R,5R)-N,3-dicyclohexyl-4,5-dimethyl-1,3-oxazolidin-2-imine?
The canonical SMILES for (4R,5R)-N,3-dicyclohexyl-4,5-dimethyl-1,3-oxazolidin-2-imine is C[C@@H]1[C@@H](C)O/C(=N\C2CCCCC2)N1C1CCCCC1.
What is the InChIKey of (4R,5R)-N,3-dicyclohexyl-4,5-dimethyl-1,3-oxazolidin-2-imine?
The InChIKey is OZBAFYBTDOPEJS-NERIXLHVSA-N. The full InChI is InChI=1S/C17H30N2O/c1-13-14(2)20-17(18-15-9-5-3-6-10-15)19(13)16-11-7-4-8-12-16/h13-16H,3-12H2,1-2H3/b18-17-/t13-,14-/m1/s1.
What are the key properties of (4R,5R)-N,3-dicyclohexyl-4,5-dimethyl-1,3-oxazolidin-2-imine?
(4R,5R)-N,3-dicyclohexyl-4,5-dimethyl-1,3-oxazolidin-2-imine has a molecular weight of 278.44 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-N,3-dicyclohexyl-4,5-dimethyl-1,3-oxazolidin-2-imine is sourced from PubChem (CID 14868431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).