N'-[[1-(methoxymethyl)cyclobutyl]methyl]morpholine-4-carboximidamide

C12H23N3O2 — CID 120762517

IUPACN'-[[1-(methoxymethyl)cyclobutyl]methyl]morpholine-4-carboximidamide
SMILESCOCC1(C/N=C(\N)N2CCOCC2)CCC1
InChIInChI=1S/C12H23N3O2/c1-16-10-12(3-2-4-12)9-14-11(13)15-5-7-17-8-6-15/h2-10H2,1H3,(H2,13,14)
InChIKeyUBEXBCXLGGSELV-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.45
Rot. Bonds4

About N'-[[1-(methoxymethyl)cyclobutyl]methyl]morpholine-4-carboximidamide

N'-[[1-(methoxymethyl)cyclobutyl]methyl]morpholine-4-carboximidamide (PubChem CID 120762517) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is N'-[[1-(methoxymethyl)cyclobutyl]methyl]morpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[[1-(methoxymethyl)cyclobutyl]methyl]morpholine-4-carboximidamide
PubChem CID120762517
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC NameN'-[[1-(methoxymethyl)cyclobutyl]methyl]morpholine-4-carboximidamide
SMILESCOCC1(C/N=C(\N)N2CCOCC2)CCC1
InChIInChI=1S/C12H23N3O2/c1-16-10-12(3-2-4-12)9-14-11(13)15-5-7-17-8-6-15/h2-10H2,1H3,(H2,13,14)
InChIKeyUBEXBCXLGGSELV-UHFFFAOYSA-N
XLogP0.45
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-(4-fluorophenyl)-N'-[[1-(methoxymethyl)cyclobutyl]methyl]piperazine-1-carboximidamide
CID 120762513
N'-[[1-(hydroxymethyl)cyclopropyl]methyl]morpholine-4-carboximidamide
CID 111600999
N'-[(4-hydroxyoxan-4-yl)methyl]morpholine-4-carboximidamide
CID 119120839
N'-[(1-methylsulfonylcyclopentyl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 120973772
N'-[(1-morpholin-4-ylcyclopropyl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 120558150
N'-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111911855
N'-[[1-(difluoromethyl)cyclopropyl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 120662401
N'-[(1-phenylcyclobutyl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 111038642
N'-[[1-(2-methoxyphenyl)cyclopentyl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111078968
N'-ethyl-1,4-oxazepane-4-carboximidamide
CID 62972618
N'-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]azetidine-1-carboximidamide
CID 122095314
2-[[4-(methoxymethyl)oxan-4-yl]methyl]-1,1,3,3-tetramethylguanidine
CID 122082719

Frequently Asked Questions

What is the IUPAC name of N'-[[1-(methoxymethyl)cyclobutyl]methyl]morpholine-4-carboximidamide?
The IUPAC name of N'-[[1-(methoxymethyl)cyclobutyl]methyl]morpholine-4-carboximidamide (CID 120762517) is N'-[[1-(methoxymethyl)cyclobutyl]methyl]morpholine-4-carboximidamide.
What is the SMILES notation for N'-[[1-(methoxymethyl)cyclobutyl]methyl]morpholine-4-carboximidamide?
The canonical SMILES for N'-[[1-(methoxymethyl)cyclobutyl]methyl]morpholine-4-carboximidamide is COCC1(C/N=C(\N)N2CCOCC2)CCC1.
What is the InChIKey of N'-[[1-(methoxymethyl)cyclobutyl]methyl]morpholine-4-carboximidamide?
The InChIKey is UBEXBCXLGGSELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-16-10-12(3-2-4-12)9-14-11(13)15-5-7-17-8-6-15/h2-10H2,1H3,(H2,13,14).
What are the key properties of N'-[[1-(methoxymethyl)cyclobutyl]methyl]morpholine-4-carboximidamide?
N'-[[1-(methoxymethyl)cyclobutyl]methyl]morpholine-4-carboximidamide has a molecular weight of 241.33 g/mol, XLogP of 0.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[1-(methoxymethyl)cyclobutyl]methyl]morpholine-4-carboximidamide is sourced from PubChem (CID 120762517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).