1-amino-3-cyclopentyl-2-[(4-fluoro-3,5-dimethylphenyl)methyl]guanidine

C15H23FN4 — CID 116515958

IUPAC1-amino-3-cyclopentyl-2-[(4-fluoro-3,5-dimethylphenyl)methyl]guanidine
SMILESCc1cc(C/N=C(\NN)NC2CCCC2)cc(C)c1F
InChIInChI=1S/C15H23FN4/c1-10-7-12(8-11(2)14(10)16)9-18-15(20-17)19-13-5-3-4-6-13/h7-8,13H,3-6,9,17H2,1-2H3,(H2,18,19,20)
InChIKeyZOISHWHISSPEQZ-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.29
Rot. Bonds3

About 1-amino-3-cyclopentyl-2-[(4-fluoro-3,5-dimethylphenyl)methyl]guanidine

1-amino-3-cyclopentyl-2-[(4-fluoro-3,5-dimethylphenyl)methyl]guanidine (PubChem CID 116515958) has the molecular formula C15H23FN4 and a molecular weight of 278.38 g/mol. Its IUPAC name is 1-amino-3-cyclopentyl-2-[(4-fluoro-3,5-dimethylphenyl)methyl]guanidine.

Molecular Properties

Compound Name1-amino-3-cyclopentyl-2-[(4-fluoro-3,5-dimethylphenyl)methyl]guanidine
PubChem CID116515958
Molecular FormulaC15H23FN4
Molecular Weight278.38 g/mol
Exact Mass278.19
IUPAC Name1-amino-3-cyclopentyl-2-[(4-fluoro-3,5-dimethylphenyl)methyl]guanidine
SMILESCc1cc(C/N=C(\NN)NC2CCCC2)cc(C)c1F
InChIInChI=1S/C15H23FN4/c1-10-7-12(8-11(2)14(10)16)9-18-15(20-17)19-13-5-3-4-6-13/h7-8,13H,3-6,9,17H2,1-2H3,(H2,18,19,20)
InChIKeyZOISHWHISSPEQZ-UHFFFAOYSA-N
XLogP2.29
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-amino-3-cyclohexyl-2-[(4-fluorophenyl)methyl]guanidine
CID 116512388
1-amino-3-cyclohexyl-2-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine
CID 114128975
1-amino-2-benzyl-3-cyclopropylguanidine
CID 116511559
1-cyclopentyl-3-ethyl-2-[(4-methoxy-3-methylphenyl)methyl]guanidine;hydroiodide
CID 110991558
1-amino-3-cyclopentyl-2-[2-(2-methylphenyl)ethyl]guanidine
CID 116515754
1-amino-3-cyclopropyl-2-[(1-methylpyrazol-4-yl)methyl]guanidine
CID 116514484
1-amino-3-cyclohexyl-2-(thiophen-2-ylmethyl)guanidine
CID 116513137
1-amino-3-cyclopentyl-2-[(5-ethyl-1,3-oxazol-2-yl)methyl]guanidine
CID 106379079
1-amino-3-cyclohexyl-2-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine
CID 104887221
1-amino-3-cyclopentyl-2-(cyclopentylmethyl)guanidine
CID 104883783
1-cyclohexyl-3-ethyl-2-[(3-methoxy-4-methylphenyl)methyl]guanidine;hydroiodide
CID 110957005
2-[(3-chloro-4-fluorophenyl)methyl]-1-cyclopentyl-3-ethylguanidine
CID 110992777

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-cyclopentyl-2-[(4-fluoro-3,5-dimethylphenyl)methyl]guanidine?
The IUPAC name of 1-amino-3-cyclopentyl-2-[(4-fluoro-3,5-dimethylphenyl)methyl]guanidine (CID 116515958) is 1-amino-3-cyclopentyl-2-[(4-fluoro-3,5-dimethylphenyl)methyl]guanidine.
What is the SMILES notation for 1-amino-3-cyclopentyl-2-[(4-fluoro-3,5-dimethylphenyl)methyl]guanidine?
The canonical SMILES for 1-amino-3-cyclopentyl-2-[(4-fluoro-3,5-dimethylphenyl)methyl]guanidine is Cc1cc(C/N=C(\NN)NC2CCCC2)cc(C)c1F.
What is the InChIKey of 1-amino-3-cyclopentyl-2-[(4-fluoro-3,5-dimethylphenyl)methyl]guanidine?
The InChIKey is ZOISHWHISSPEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN4/c1-10-7-12(8-11(2)14(10)16)9-18-15(20-17)19-13-5-3-4-6-13/h7-8,13H,3-6,9,17H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-amino-3-cyclopentyl-2-[(4-fluoro-3,5-dimethylphenyl)methyl]guanidine?
1-amino-3-cyclopentyl-2-[(4-fluoro-3,5-dimethylphenyl)methyl]guanidine has a molecular weight of 278.38 g/mol, XLogP of 2.29, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-cyclopentyl-2-[(4-fluoro-3,5-dimethylphenyl)methyl]guanidine is sourced from PubChem (CID 116515958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).