N'-[(1R,2S,3S)-2-methyl-3-phenylcyclobutyl]morpholine-4-carboximidamide

C16H23N3O — CID 99849055

IUPACN'-[(1R,2S,3S)-2-methyl-3-phenylcyclobutyl]morpholine-4-carboximidamide
SMILESC[C@H]1[C@@H](c2ccccc2)C[C@H]1/N=C(\N)N1CCOCC1
InChIInChI=1S/C16H23N3O/c1-12-14(13-5-3-2-4-6-13)11-15(12)18-16(17)19-7-9-20-10-8-19/h2-6,12,14-15H,7-11H2,1H3,(H2,17,18)/t12-,14-,15+/m0/s1
InChIKeyXVNHBOJDWQVQAZ-AEGPPILISA-N
MW273.38 g/mol
LogP1.83
Rot. Bonds2

About N'-[(1R,2S,3S)-2-methyl-3-phenylcyclobutyl]morpholine-4-carboximidamide

N'-[(1R,2S,3S)-2-methyl-3-phenylcyclobutyl]morpholine-4-carboximidamide (PubChem CID 99849055) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N'-[(1R,2S,3S)-2-methyl-3-phenylcyclobutyl]morpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[(1R,2S,3S)-2-methyl-3-phenylcyclobutyl]morpholine-4-carboximidamide
PubChem CID99849055
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN'-[(1R,2S,3S)-2-methyl-3-phenylcyclobutyl]morpholine-4-carboximidamide
SMILESC[C@H]1[C@@H](c2ccccc2)C[C@H]1/N=C(\N)N1CCOCC1
InChIInChI=1S/C16H23N3O/c1-12-14(13-5-3-2-4-6-13)11-15(12)18-16(17)19-7-9-20-10-8-19/h2-6,12,14-15H,7-11H2,1H3,(H2,17,18)/t12-,14-,15+/m0/s1
InChIKeyXVNHBOJDWQVQAZ-AEGPPILISA-N
XLogP1.83
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

N'-[2-(2-fluorophenyl)cyclopropyl]morpholine-4-carboximidamide
CID 111101017
N'-[2-(3-fluorophenyl)cyclopropyl]morpholine-4-carboximidamide;hydroiodide
CID 119120458
N'-[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-2-methylmorpholine-4-carboximidamide
CID 120671238
N'-[3-(2-fluorophenyl)cyclobutyl]morpholine-4-carboximidamide
CID 120671570
N'-[(1R,2S)-2-(3-ethoxyphenyl)cyclopropyl]-2-methylmorpholine-4-carboximidamide
CID 120671174
N'-[3-(4-chlorophenyl)cyclobutyl]morpholine-4-carboximidamide;hydroiodide
CID 120663261
N'-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]morpholine-4-carboximidamide;hydroiodide
CID 120671720
N'-[(2-phenyloxan-3-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 111075066
N'-[(1R,2S)-2-[4-(difluoromethoxy)phenyl]cyclopropyl]-2-methylmorpholine-4-carboximidamide
CID 120663236
N'-(2-phenoxypropyl)morpholine-4-carboximidamide
CID 111801506
N'-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]azepane-1-carboximidamide
CID 120606046
N'-[(1R,2S)-2-(3-methoxyphenyl)cyclopropyl]-3-methylpiperidine-1-carboximidamide
CID 122097958

Frequently Asked Questions

What is the IUPAC name of N'-[(1R,2S,3S)-2-methyl-3-phenylcyclobutyl]morpholine-4-carboximidamide?
The IUPAC name of N'-[(1R,2S,3S)-2-methyl-3-phenylcyclobutyl]morpholine-4-carboximidamide (CID 99849055) is N'-[(1R,2S,3S)-2-methyl-3-phenylcyclobutyl]morpholine-4-carboximidamide.
What is the SMILES notation for N'-[(1R,2S,3S)-2-methyl-3-phenylcyclobutyl]morpholine-4-carboximidamide?
The canonical SMILES for N'-[(1R,2S,3S)-2-methyl-3-phenylcyclobutyl]morpholine-4-carboximidamide is C[C@H]1[C@@H](c2ccccc2)C[C@H]1/N=C(\N)N1CCOCC1.
What is the InChIKey of N'-[(1R,2S,3S)-2-methyl-3-phenylcyclobutyl]morpholine-4-carboximidamide?
The InChIKey is XVNHBOJDWQVQAZ-AEGPPILISA-N. The full InChI is InChI=1S/C16H23N3O/c1-12-14(13-5-3-2-4-6-13)11-15(12)18-16(17)19-7-9-20-10-8-19/h2-6,12,14-15H,7-11H2,1H3,(H2,17,18)/t12-,14-,15+/m0/s1.
What are the key properties of N'-[(1R,2S,3S)-2-methyl-3-phenylcyclobutyl]morpholine-4-carboximidamide?
N'-[(1R,2S,3S)-2-methyl-3-phenylcyclobutyl]morpholine-4-carboximidamide has a molecular weight of 273.38 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1R,2S,3S)-2-methyl-3-phenylcyclobutyl]morpholine-4-carboximidamide is sourced from PubChem (CID 99849055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).