1-amino-3-cyclohexyl-2-[(4-fluorophenyl)methyl]guanidine

C14H21FN4 — CID 116512388

IUPAC1-amino-3-cyclohexyl-2-[(4-fluorophenyl)methyl]guanidine
SMILESNN/C(=N\Cc1ccc(F)cc1)NC1CCCCC1
InChIInChI=1S/C14H21FN4/c15-12-8-6-11(7-9-12)10-17-14(19-16)18-13-4-2-1-3-5-13/h6-9,13H,1-5,10,16H2,(H2,17,18,19)
InChIKeyOILSLZQBJSBXHG-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.07
Rot. Bonds3

About 1-amino-3-cyclohexyl-2-[(4-fluorophenyl)methyl]guanidine

1-amino-3-cyclohexyl-2-[(4-fluorophenyl)methyl]guanidine (PubChem CID 116512388) has the molecular formula C14H21FN4 and a molecular weight of 264.35 g/mol. Its IUPAC name is 1-amino-3-cyclohexyl-2-[(4-fluorophenyl)methyl]guanidine.

Molecular Properties

Compound Name1-amino-3-cyclohexyl-2-[(4-fluorophenyl)methyl]guanidine
PubChem CID116512388
Molecular FormulaC14H21FN4
Molecular Weight264.35 g/mol
Exact Mass264.18
IUPAC Name1-amino-3-cyclohexyl-2-[(4-fluorophenyl)methyl]guanidine
SMILESNN/C(=N\Cc1ccc(F)cc1)NC1CCCCC1
InChIInChI=1S/C14H21FN4/c15-12-8-6-11(7-9-12)10-17-14(19-16)18-13-4-2-1-3-5-13/h6-9,13H,1-5,10,16H2,(H2,17,18,19)
InChIKeyOILSLZQBJSBXHG-UHFFFAOYSA-N
XLogP2.07
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.07
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-cyclopentyl-2-[(4-fluoro-3,5-dimethylphenyl)methyl]guanidine
CID 116515958
1-amino-2-benzyl-3-cyclopropylguanidine
CID 116511559
1-cyclopropyl-3-ethyl-2-[(4-fluorophenyl)methyl]guanidine;hydroiodide
CID 110988637
2-[[N-cyclopentyl-N'-[(4-fluorophenyl)methyl]carbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide
CID 111495891
1-amino-3-cyclohexyl-2-(thiophen-2-ylmethyl)guanidine
CID 116513137
1-amino-3-cyclopropyl-2-[(4-sulfamoylphenyl)methyl]guanidine
CID 116511984
N-cyclohexyl-3-[[N-ethyl-N'-[(4-fluorophenyl)methyl]carbamimidoyl]amino]propanamide;hydroiodide
CID 111233542
1-amino-3-cyclohexyl-2-[2-(2-fluorophenyl)ethyl]guanidine
CID 116512069
1-cyclopentyl-2-[[4-[(4-fluorophenyl)sulfamoyl]phenyl]methyl]guanidine
CID 119164154
1-amino-3-cyclohexyl-2-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine
CID 114128975
1-cyclohexyl-2-[(4-methylphenyl)methyl]-3-phenylguanidine
CID 3710493
1-cyclohexyl-2-[(3,4-difluorophenyl)methyl]guanidine
CID 62369891

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-cyclohexyl-2-[(4-fluorophenyl)methyl]guanidine?
The IUPAC name of 1-amino-3-cyclohexyl-2-[(4-fluorophenyl)methyl]guanidine (CID 116512388) is 1-amino-3-cyclohexyl-2-[(4-fluorophenyl)methyl]guanidine.
What is the SMILES notation for 1-amino-3-cyclohexyl-2-[(4-fluorophenyl)methyl]guanidine?
The canonical SMILES for 1-amino-3-cyclohexyl-2-[(4-fluorophenyl)methyl]guanidine is NN/C(=N\Cc1ccc(F)cc1)NC1CCCCC1.
What is the InChIKey of 1-amino-3-cyclohexyl-2-[(4-fluorophenyl)methyl]guanidine?
The InChIKey is OILSLZQBJSBXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN4/c15-12-8-6-11(7-9-12)10-17-14(19-16)18-13-4-2-1-3-5-13/h6-9,13H,1-5,10,16H2,(H2,17,18,19).
What are the key properties of 1-amino-3-cyclohexyl-2-[(4-fluorophenyl)methyl]guanidine?
1-amino-3-cyclohexyl-2-[(4-fluorophenyl)methyl]guanidine has a molecular weight of 264.35 g/mol, XLogP of 2.07, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-cyclohexyl-2-[(4-fluorophenyl)methyl]guanidine is sourced from PubChem (CID 116512388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).