N'-[2-(4-ethylphenyl)-2-methylpropyl]morpholine-4-carboximidamide

C17H27N3O — CID 111859849

IUPACN'-[2-(4-ethylphenyl)-2-methylpropyl]morpholine-4-carboximidamide
SMILESCCc1ccc(C(C)(C)C/N=C(\N)N2CCOCC2)cc1
InChIInChI=1S/C17H27N3O/c1-4-14-5-7-15(8-6-14)17(2,3)13-19-16(18)20-9-11-21-12-10-20/h5-8H,4,9-13H2,1-3H3,(H2,18,19)
InChIKeyFTHUPPFRZQEAQF-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.17
Rot. Bonds4

About N'-[2-(4-ethylphenyl)-2-methylpropyl]morpholine-4-carboximidamide

N'-[2-(4-ethylphenyl)-2-methylpropyl]morpholine-4-carboximidamide (PubChem CID 111859849) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N'-[2-(4-ethylphenyl)-2-methylpropyl]morpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[2-(4-ethylphenyl)-2-methylpropyl]morpholine-4-carboximidamide
PubChem CID111859849
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN'-[2-(4-ethylphenyl)-2-methylpropyl]morpholine-4-carboximidamide
SMILESCCc1ccc(C(C)(C)C/N=C(\N)N2CCOCC2)cc1
InChIInChI=1S/C17H27N3O/c1-4-14-5-7-15(8-6-14)17(2,3)13-19-16(18)20-9-11-21-12-10-20/h5-8H,4,9-13H2,1-3H3,(H2,18,19)
InChIKeyFTHUPPFRZQEAQF-UHFFFAOYSA-N
XLogP2.17
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.17
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-(4-bromophenyl)-2-methylpropyl]morpholine-4-carboximidamide;hydroiodide
CID 111070095
N'-[(4-tert-butylphenyl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 111045453
N'-[2-(3-chlorophenyl)-2-methylpropyl]morpholine-4-carboximidamide
CID 111088020
N'-[2-(3-bromophenyl)-2-methylpropyl]morpholine-4-carboximidamide;hydroiodide
CID 111096268
N'-[2-(4-chlorophenyl)-2-ethylbutyl]morpholine-4-carboximidamide;hydroiodide
CID 111097140
N'-[2-(4-bromophenyl)-2-methylpropyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111070123
N'-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-4-methylpiperidine-1-carboximidamide
CID 110920365
N'-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111091110
N'-(2-hydroxy-2-thiophen-3-ylpropyl)morpholine-4-carboximidamide;hydroiodide
CID 111823918
2-[2-(4-ethylphenyl)-2-methylpropyl]-1-propan-2-ylguanidine
CID 111859843
ethyl 4-[[N'-[2-(4-ethylphenyl)-2-methylpropyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 111859831
N'-(2-methyl-2-methylsulfonylpropyl)morpholine-4-carboximidamide
CID 111752152

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-ethylphenyl)-2-methylpropyl]morpholine-4-carboximidamide?
The IUPAC name of N'-[2-(4-ethylphenyl)-2-methylpropyl]morpholine-4-carboximidamide (CID 111859849) is N'-[2-(4-ethylphenyl)-2-methylpropyl]morpholine-4-carboximidamide.
What is the SMILES notation for N'-[2-(4-ethylphenyl)-2-methylpropyl]morpholine-4-carboximidamide?
The canonical SMILES for N'-[2-(4-ethylphenyl)-2-methylpropyl]morpholine-4-carboximidamide is CCc1ccc(C(C)(C)C/N=C(\N)N2CCOCC2)cc1.
What is the InChIKey of N'-[2-(4-ethylphenyl)-2-methylpropyl]morpholine-4-carboximidamide?
The InChIKey is FTHUPPFRZQEAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-4-14-5-7-15(8-6-14)17(2,3)13-19-16(18)20-9-11-21-12-10-20/h5-8H,4,9-13H2,1-3H3,(H2,18,19).
What are the key properties of N'-[2-(4-ethylphenyl)-2-methylpropyl]morpholine-4-carboximidamide?
N'-[2-(4-ethylphenyl)-2-methylpropyl]morpholine-4-carboximidamide has a molecular weight of 289.42 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-ethylphenyl)-2-methylpropyl]morpholine-4-carboximidamide is sourced from PubChem (CID 111859849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).