N'-(3-amino-2,2-dimethylpropyl)-N-(3-fluorophenyl)morpholine-4-carboximidamide

C16H25FN4O — CID 134121985

IUPACN'-(3-amino-2,2-dimethylpropyl)-N-(3-fluorophenyl)morpholine-4-carboximidamide
SMILESCC(C)(CN)C/N=C(/Nc1cccc(F)c1)N1CCOCC1
InChIInChI=1S/C16H25FN4O/c1-16(2,11-18)12-19-15(21-6-8-22-9-7-21)20-14-5-3-4-13(17)10-14/h3-5,10H,6-9,11-12,18H2,1-2H3,(H,19,20)
InChIKeyDBUMZWHMWDVNAT-UHFFFAOYSA-N
MW308.40 g/mol
LogP1.91
Rot. Bonds4

About N'-(3-amino-2,2-dimethylpropyl)-N-(3-fluorophenyl)morpholine-4-carboximidamide

N'-(3-amino-2,2-dimethylpropyl)-N-(3-fluorophenyl)morpholine-4-carboximidamide (PubChem CID 134121985) has the molecular formula C16H25FN4O and a molecular weight of 308.40 g/mol. Its IUPAC name is N'-(3-amino-2,2-dimethylpropyl)-N-(3-fluorophenyl)morpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-(3-amino-2,2-dimethylpropyl)-N-(3-fluorophenyl)morpholine-4-carboximidamide
PubChem CID134121985
Molecular FormulaC16H25FN4O
Molecular Weight308.40 g/mol
Exact Mass308.20
IUPAC NameN'-(3-amino-2,2-dimethylpropyl)-N-(3-fluorophenyl)morpholine-4-carboximidamide
SMILESCC(C)(CN)C/N=C(/Nc1cccc(F)c1)N1CCOCC1
InChIInChI=1S/C16H25FN4O/c1-16(2,11-18)12-19-15(21-6-8-22-9-7-21)20-14-5-3-4-13(17)10-14/h3-5,10H,6-9,11-12,18H2,1-2H3,(H,19,20)
InChIKeyDBUMZWHMWDVNAT-UHFFFAOYSA-N
XLogP1.91
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 51.91
H-Bond Donors ≤ 52
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

N'-(3-amino-2,2-dimethylpropyl)-N-(3-chloro-4-fluorophenyl)morpholine-4-carboximidamide
CID 134108665
2-(3-amino-2,2-dimethylpropyl)-1-cyclopentyl-3-(3-fluorophenyl)guanidine
CID 134121977
N-(3-fluorophenyl)-N'-(furan-2-ylmethyl)pyrrolidine-1-carboximidamide
CID 57320892
N'-[[3-(aminomethyl)cyclohexyl]methyl]-N-(3-fluorophenyl)-4-(2-hydroxyethyl)piperazine-1-carboximidamide
CID 134091967
3-(2,2-dimethylpropyl)-1-[(3-fluorophenyl)methyl]-1-(2-morpholin-4-ylethyl)urea
CID 110670194
2-[[ethylamino-[(3-methyl-2-morpholin-4-ylbutyl)amino]methylidene]amino]-N-(3-fluorophenyl)acetamide;hydroiodide
CID 111930853
N-[3-[[[amino(morpholin-4-yl)methylidene]amino]methyl]phenyl]acetamide;hydroiodide
CID 111044863
3-(3-chlorophenyl)-1-[(3-fluorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)urea
CID 4184098
2-[[amino(morpholin-4-yl)methylidene]amino]-N-(3-ethylphenyl)acetamide
CID 111093861
methyl 4-[(3-fluorophenyl)carbamoyl]morpholine-3-carboxylate
CID 104774908
N'-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]morpholine-4-carboximidamide
CID 111029314
2-(aminomethyl)-N-(3-fluorophenyl)-2-methylbutanamide
CID 114290174

Frequently Asked Questions

What is the IUPAC name of N'-(3-amino-2,2-dimethylpropyl)-N-(3-fluorophenyl)morpholine-4-carboximidamide?
The IUPAC name of N'-(3-amino-2,2-dimethylpropyl)-N-(3-fluorophenyl)morpholine-4-carboximidamide (CID 134121985) is N'-(3-amino-2,2-dimethylpropyl)-N-(3-fluorophenyl)morpholine-4-carboximidamide.
What is the SMILES notation for N'-(3-amino-2,2-dimethylpropyl)-N-(3-fluorophenyl)morpholine-4-carboximidamide?
The canonical SMILES for N'-(3-amino-2,2-dimethylpropyl)-N-(3-fluorophenyl)morpholine-4-carboximidamide is CC(C)(CN)C/N=C(/Nc1cccc(F)c1)N1CCOCC1.
What is the InChIKey of N'-(3-amino-2,2-dimethylpropyl)-N-(3-fluorophenyl)morpholine-4-carboximidamide?
The InChIKey is DBUMZWHMWDVNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN4O/c1-16(2,11-18)12-19-15(21-6-8-22-9-7-21)20-14-5-3-4-13(17)10-14/h3-5,10H,6-9,11-12,18H2,1-2H3,(H,19,20).
What are the key properties of N'-(3-amino-2,2-dimethylpropyl)-N-(3-fluorophenyl)morpholine-4-carboximidamide?
N'-(3-amino-2,2-dimethylpropyl)-N-(3-fluorophenyl)morpholine-4-carboximidamide has a molecular weight of 308.40 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-amino-2,2-dimethylpropyl)-N-(3-fluorophenyl)morpholine-4-carboximidamide is sourced from PubChem (CID 134121985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).