2-(cyclobutylmethyl)-1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]guanidine

C16H25FN4 — CID 111752418

IUPAC2-(cyclobutylmethyl)-1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]guanidine
SMILESCN(CCN/C(N)=N/CC1CCC1)Cc1ccc(F)cc1
InChIInChI=1S/C16H25FN4/c1-21(12-14-5-7-15(17)8-6-14)10-9-19-16(18)20-11-13-3-2-4-13/h5-8,13H,2-4,9-12H2,1H3,(H3,18,19,20)
InChIKeyNYTBMSAVWXZZPA-UHFFFAOYSA-N
MW292.40 g/mol
LogP1.96
Rot. Bonds7

About 2-(cyclobutylmethyl)-1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]guanidine

2-(cyclobutylmethyl)-1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]guanidine (PubChem CID 111752418) has the molecular formula C16H25FN4 and a molecular weight of 292.40 g/mol. Its IUPAC name is 2-(cyclobutylmethyl)-1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]guanidine.

Molecular Properties

Compound Name2-(cyclobutylmethyl)-1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]guanidine
PubChem CID111752418
Molecular FormulaC16H25FN4
Molecular Weight292.40 g/mol
Exact Mass292.21
IUPAC Name2-(cyclobutylmethyl)-1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]guanidine
SMILESCN(CCN/C(N)=N/CC1CCC1)Cc1ccc(F)cc1
InChIInChI=1S/C16H25FN4/c1-21(12-14-5-7-15(17)8-6-14)10-9-19-16(18)20-11-13-3-2-4-13/h5-8,13H,2-4,9-12H2,1H3,(H3,18,19,20)
InChIKeyNYTBMSAVWXZZPA-UHFFFAOYSA-N
XLogP1.96
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 51.96
H-Bond Donors ≤ 52
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

1-[2-[benzyl(methyl)amino]ethyl]-2-(cyclobutylmethyl)guanidine
CID 111078743
1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-2-propylguanidine;hydroiodide
CID 111752415
1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-2-(3-methylbutyl)guanidine
CID 111752434
N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]piperidine-3-carboxamide
CID 119896338
2-(cyclobutylmethyl)-1-[2-[methyl(propan-2-yl)amino]ethyl]guanidine;hydroiodide
CID 111096600
1-(cyclobutylmethyl)-2-[(4-fluorophenyl)methyl]guanidine
CID 111025727
2-(cyclobutylmethyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]guanidine
CID 111025158
2-(cyclopropylmethyl)-3-ethyl-1-[(4-fluorophenyl)methyl]-1-methylguanidine
CID 111306922
1-[2-[benzyl(methyl)amino]ethyl]-2-(2-methylprop-2-enyl)guanidine
CID 111078755
1-ethyl-3-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-2-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111968364
2-amino-N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]acetamide;dihydrochloride
CID 119896383
2-(cyclobutylmethyl)-1-[2-(2-methylphenyl)ethyl]guanidine;hydroiodide
CID 111031290

Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutylmethyl)-1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]guanidine?
The IUPAC name of 2-(cyclobutylmethyl)-1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]guanidine (CID 111752418) is 2-(cyclobutylmethyl)-1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]guanidine.
What is the SMILES notation for 2-(cyclobutylmethyl)-1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]guanidine?
The canonical SMILES for 2-(cyclobutylmethyl)-1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]guanidine is CN(CCN/C(N)=N/CC1CCC1)Cc1ccc(F)cc1.
What is the InChIKey of 2-(cyclobutylmethyl)-1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]guanidine?
The InChIKey is NYTBMSAVWXZZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN4/c1-21(12-14-5-7-15(17)8-6-14)10-9-19-16(18)20-11-13-3-2-4-13/h5-8,13H,2-4,9-12H2,1H3,(H3,18,19,20).
What are the key properties of 2-(cyclobutylmethyl)-1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]guanidine?
2-(cyclobutylmethyl)-1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]guanidine has a molecular weight of 292.40 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylmethyl)-1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]guanidine is sourced from PubChem (CID 111752418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).