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

C13H26N2O — CID 14868428

IUPAC(4R,5R)-N,3-dibutyl-4,5-dimethyl-1,3-oxazolidin-2-imine
SMILESCCCC/N=C1\O[C@H](C)[C@@H](C)N1CCCC
InChIInChI=1S/C13H26N2O/c1-5-7-9-14-13-15(10-8-6-2)11(3)12(4)16-13/h11-12H,5-10H2,1-4H3/b14-13-/t11-,12-/m1/s1
InChIKeyYKJFKLVCMBPQSA-RHVHMXCLSA-N
MW226.36 g/mol
LogP3.05
Rot. Bonds6

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

(4R,5R)-N,3-dibutyl-4,5-dimethyl-1,3-oxazolidin-2-imine (PubChem CID 14868428) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is (4R,5R)-N,3-dibutyl-4,5-dimethyl-1,3-oxazolidin-2-imine.

Molecular Properties

Compound Name(4R,5R)-N,3-dibutyl-4,5-dimethyl-1,3-oxazolidin-2-imine
PubChem CID14868428
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name(4R,5R)-N,3-dibutyl-4,5-dimethyl-1,3-oxazolidin-2-imine
SMILESCCCC/N=C1\O[C@H](C)[C@@H](C)N1CCCC
InChIInChI=1S/C13H26N2O/c1-5-7-9-14-13-15(10-8-6-2)11(3)12(4)16-13/h11-12H,5-10H2,1-4H3/b14-13-/t11-,12-/m1/s1
InChIKeyYKJFKLVCMBPQSA-RHVHMXCLSA-N
XLogP3.05
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-dibutyl-4,5-dihydro-1,3-oxazol-2-amine
CID 20523755
N,3-di(propan-2-yl)-1,3-oxazolidin-2-imine
CID 21523590
5-methyl-N,3-di(propan-2-yl)-1,3-oxazolidin-2-imine
CID 21523595
N,3-di(propan-2-yl)-1,3-oxazolidin-2-imine;hydrochloride
CID 21523598
5-(chloromethyl)-N,3-di(propan-2-yl)-1,3-oxazolidin-2-imine
CID 21523599
3-ethyl-N-propan-2-yl-1,3-oxazolidin-2-imine
CID 57590559
3-cyclopropyl-N-propan-2-yl-1,3-oxazolidin-2-imine
CID 57590566
N,N-dimethyl-1-(3-methyl-2-propan-2-ylimino-1,3-oxazolidin-4-yl)methanamine
CID 57590585
3-methyl-N-propan-2-yl-1,3-oxazolidin-2-imine
CID 57590586
3-cyclopropyl-N-methyl-1,3-oxazolidin-2-imine
CID 89200310
3,4-dimethyl-N-propan-2-yl-1,3-oxazolidin-2-imine
CID 91035109
N,N-di(propan-2-yl)-4,5-dihydro-1,3-oxazol-2-amine
CID 175565036

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-N,3-dibutyl-4,5-dimethyl-1,3-oxazolidin-2-imine?
The IUPAC name of (4R,5R)-N,3-dibutyl-4,5-dimethyl-1,3-oxazolidin-2-imine (CID 14868428) is (4R,5R)-N,3-dibutyl-4,5-dimethyl-1,3-oxazolidin-2-imine.
What is the SMILES notation for (4R,5R)-N,3-dibutyl-4,5-dimethyl-1,3-oxazolidin-2-imine?
The canonical SMILES for (4R,5R)-N,3-dibutyl-4,5-dimethyl-1,3-oxazolidin-2-imine is CCCC/N=C1\O[C@H](C)[C@@H](C)N1CCCC.
What is the InChIKey of (4R,5R)-N,3-dibutyl-4,5-dimethyl-1,3-oxazolidin-2-imine?
The InChIKey is YKJFKLVCMBPQSA-RHVHMXCLSA-N. The full InChI is InChI=1S/C13H26N2O/c1-5-7-9-14-13-15(10-8-6-2)11(3)12(4)16-13/h11-12H,5-10H2,1-4H3/b14-13-/t11-,12-/m1/s1.
What are the key properties of (4R,5R)-N,3-dibutyl-4,5-dimethyl-1,3-oxazolidin-2-imine?
(4R,5R)-N,3-dibutyl-4,5-dimethyl-1,3-oxazolidin-2-imine has a molecular weight of 226.36 g/mol, XLogP of 3.05, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-N,3-dibutyl-4,5-dimethyl-1,3-oxazolidin-2-imine is sourced from PubChem (CID 14868428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).