2-[3-(2-morpholin-4-ylphenyl)hexan-2-yl]guanidine

C17H28N4O — CID 174289553

IUPAC2-[3-(2-morpholin-4-ylphenyl)hexan-2-yl]guanidine
SMILESCCCC(c1ccccc1N1CCOCC1)C(C)N=C(N)N
InChIInChI=1S/C17H28N4O/c1-3-6-14(13(2)20-17(18)19)15-7-4-5-8-16(15)21-9-11-22-12-10-21/h4-5,7-8,13-14H,3,6,9-12H2,1-2H3,(H4,18,19,20)
InChIKeyWGPOFRJDYOHDSL-UHFFFAOYSA-N
MW304.44 g/mol
LogP2.07
Rot. Bonds6

About 2-[3-(2-morpholin-4-ylphenyl)hexan-2-yl]guanidine

2-[3-(2-morpholin-4-ylphenyl)hexan-2-yl]guanidine (PubChem CID 174289553) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is 2-[3-(2-morpholin-4-ylphenyl)hexan-2-yl]guanidine.

Molecular Properties

Compound Name2-[3-(2-morpholin-4-ylphenyl)hexan-2-yl]guanidine
PubChem CID174289553
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name2-[3-(2-morpholin-4-ylphenyl)hexan-2-yl]guanidine
SMILESCCCC(c1ccccc1N1CCOCC1)C(C)N=C(N)N
InChIInChI=1S/C17H28N4O/c1-3-6-14(13(2)20-17(18)19)15-7-4-5-8-16(15)21-9-11-22-12-10-21/h4-5,7-8,13-14H,3,6,9-12H2,1-2H3,(H4,18,19,20)
InChIKeyWGPOFRJDYOHDSL-UHFFFAOYSA-N
XLogP2.07
TPSA76.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 52.07
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

(1R)-1-(2-morpholin-4-ylphenyl)ethanol
CID 78939110
2-amino-1-(2-morpholin-4-ylphenyl)ethanol
CID 82617214
ethoxy-(2-morpholin-4-ylphenyl)methanol
CID 91211184
(1R)-3-amino-1-(2-morpholin-4-ylphenyl)propan-1-ol
CID 96818422
1-(2-morpholin-4-ylphenyl)-N-propylpropan-1-amine
CID 112677731
3-(2-morpholin-4-ylphenyl)butanal
CID 117338487
1-(methylamino)-1-(2-morpholin-4-ylphenyl)butan-2-one
CID 174864806
3-bromo-1-(2-morpholin-4-ylphenyl)propane-1,2-diol
CID 171861252
1-(2-morpholin-4-ylphenyl)propan-2-ol
CID 83674895
2-methyl-1-[(2-morpholin-4-ylphenyl)methyl]guanidine;hydroiodide
CID 75419013
2-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide
CID 47400471
2,3-dimethyl-1-[(2-morpholin-4-ylphenyl)methylamino]pentan-2-ol
CID 111118881

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-morpholin-4-ylphenyl)hexan-2-yl]guanidine?
The IUPAC name of 2-[3-(2-morpholin-4-ylphenyl)hexan-2-yl]guanidine (CID 174289553) is 2-[3-(2-morpholin-4-ylphenyl)hexan-2-yl]guanidine.
What is the SMILES notation for 2-[3-(2-morpholin-4-ylphenyl)hexan-2-yl]guanidine?
The canonical SMILES for 2-[3-(2-morpholin-4-ylphenyl)hexan-2-yl]guanidine is CCCC(c1ccccc1N1CCOCC1)C(C)N=C(N)N.
What is the InChIKey of 2-[3-(2-morpholin-4-ylphenyl)hexan-2-yl]guanidine?
The InChIKey is WGPOFRJDYOHDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-3-6-14(13(2)20-17(18)19)15-7-4-5-8-16(15)21-9-11-22-12-10-21/h4-5,7-8,13-14H,3,6,9-12H2,1-2H3,(H4,18,19,20).
What are the key properties of 2-[3-(2-morpholin-4-ylphenyl)hexan-2-yl]guanidine?
2-[3-(2-morpholin-4-ylphenyl)hexan-2-yl]guanidine has a molecular weight of 304.44 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-morpholin-4-ylphenyl)hexan-2-yl]guanidine is sourced from PubChem (CID 174289553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).