N,3-dibutyl-5-(methoxymethyl)-1,3-oxazolidin-2-imine

C13H26N2O2 — CID 14268559

IUPACN,3-dibutyl-5-(methoxymethyl)-1,3-oxazolidin-2-imine
SMILESCCCC/N=C1\OC(COC)CN1CCCC
InChIInChI=1S/C13H26N2O2/c1-4-6-8-14-13-15(9-7-5-2)10-12(17-13)11-16-3/h12H,4-11H2,1-3H3/b14-13-
InChIKeyRYHMDLHIRBWAHS-YPKPFQOOSA-N
MW242.36 g/mol
LogP2.29
Rot. Bonds8

About N,3-dibutyl-5-(methoxymethyl)-1,3-oxazolidin-2-imine

N,3-dibutyl-5-(methoxymethyl)-1,3-oxazolidin-2-imine (PubChem CID 14268559) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N,3-dibutyl-5-(methoxymethyl)-1,3-oxazolidin-2-imine.

Molecular Properties

Compound NameN,3-dibutyl-5-(methoxymethyl)-1,3-oxazolidin-2-imine
PubChem CID14268559
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN,3-dibutyl-5-(methoxymethyl)-1,3-oxazolidin-2-imine
SMILESCCCC/N=C1\OC(COC)CN1CCCC
InChIInChI=1S/C13H26N2O2/c1-4-6-8-14-13-15(9-7-5-2)10-12(17-13)11-16-3/h12H,4-11H2,1-3H3/b14-13-
InChIKeyRYHMDLHIRBWAHS-YPKPFQOOSA-N
XLogP2.29
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

5-methyl-N,3-di(propan-2-yl)-1,3-oxazolidin-2-imine
CID 21523595
N,3-dibutyl-5-methyl-1,3-oxazolidin-2-imine
CID 13514404
(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
(4S,5S)-N,3-dibutyl-4,5-dimethyl-1,3-oxazolidin-2-imine
CID 21779900
3,4-Dimethoxy-1-(1-methylpyrrolidin-2-ylidene)pyrrolidin-1-ium
CID 23075235
(3-Ethyl-5-methyl-1,3-oxazolidin-2-ylidene)-dimethylazanium
CID 23261329
N,N-diethyl-3,5-dimethyl-4,5-dihydro-1,3-oxazol-3-ium-2-amine
CID 23261376
3,4-dimethoxy-N'-methylpyrrolidine-1-carboximidamide
CID 103534605
3,4-dimethoxy-N'-(2-methylpropyl)pyrrolidine-1-carboximidamide
CID 103534606
N-(diaminomethylidene)-3,4-dimethoxypyrrolidine-1-carboximidamide
CID 103534607
3,4-dimethoxy-N'-propylpyrrolidine-1-carboximidamide
CID 103534608

Frequently Asked Questions

What is the IUPAC name of N,3-dibutyl-5-(methoxymethyl)-1,3-oxazolidin-2-imine?
The IUPAC name of N,3-dibutyl-5-(methoxymethyl)-1,3-oxazolidin-2-imine (CID 14268559) is N,3-dibutyl-5-(methoxymethyl)-1,3-oxazolidin-2-imine.
What is the SMILES notation for N,3-dibutyl-5-(methoxymethyl)-1,3-oxazolidin-2-imine?
The canonical SMILES for N,3-dibutyl-5-(methoxymethyl)-1,3-oxazolidin-2-imine is CCCC/N=C1\OC(COC)CN1CCCC.
What is the InChIKey of N,3-dibutyl-5-(methoxymethyl)-1,3-oxazolidin-2-imine?
The InChIKey is RYHMDLHIRBWAHS-YPKPFQOOSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-4-6-8-14-13-15(9-7-5-2)10-12(17-13)11-16-3/h12H,4-11H2,1-3H3/b14-13-.
What are the key properties of N,3-dibutyl-5-(methoxymethyl)-1,3-oxazolidin-2-imine?
N,3-dibutyl-5-(methoxymethyl)-1,3-oxazolidin-2-imine has a molecular weight of 242.36 g/mol, XLogP of 2.29, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dibutyl-5-(methoxymethyl)-1,3-oxazolidin-2-imine is sourced from PubChem (CID 14268559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).