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

C15H23FN4 — CID 116514408

IUPAC1-amino-2-cyclohexyl-3-[1-(3-fluorophenyl)ethyl]guanidine
SMILESCC(N/C(=N/C1CCCCC1)NN)c1cccc(F)c1
InChIInChI=1S/C15H23FN4/c1-11(12-6-5-7-13(16)10-12)18-15(20-17)19-14-8-3-2-4-9-14/h5-7,10-11,14H,2-4,8-9,17H2,1H3,(H2,18,19,20)
InChIKeyLENWYDSIZJIHEX-UHFFFAOYSA-N
MW278.37 g/mol
LogP2.63
Rot. Bonds3

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

1-amino-2-cyclohexyl-3-[1-(3-fluorophenyl)ethyl]guanidine (PubChem CID 116514408) has the molecular formula C15H23FN4 and a molecular weight of 278.37 g/mol. Its IUPAC name is 1-amino-2-cyclohexyl-3-[1-(3-fluorophenyl)ethyl]guanidine.

Molecular Properties

Compound Name1-amino-2-cyclohexyl-3-[1-(3-fluorophenyl)ethyl]guanidine
PubChem CID116514408
Molecular FormulaC15H23FN4
Molecular Weight278.37 g/mol
Exact Mass278.19
IUPAC Name1-amino-2-cyclohexyl-3-[1-(3-fluorophenyl)ethyl]guanidine
SMILESCC(N/C(=N/C1CCCCC1)NN)c1cccc(F)c1
InChIInChI=1S/C15H23FN4/c1-11(12-6-5-7-13(16)10-12)18-15(20-17)19-14-8-3-2-4-9-14/h5-7,10-11,14H,2-4,8-9,17H2,1H3,(H2,18,19,20)
InChIKeyLENWYDSIZJIHEX-UHFFFAOYSA-N
XLogP2.63
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 52.63
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

2-cyclopentyl-1-[1-(3-fluorophenyl)ethyl]guanidine
CID 62369078
1-amino-2-cyclohexyl-3-(1-phenylpropyl)guanidine
CID 116513637
2-amino-N-[(1S)-1-(3-fluorophenyl)ethyl]cycloheptane-1-carboxamide
CID 81366921
N-[1-(3-fluorophenyl)ethyl]cycloheptanamine
CID 43080032
2-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 81365382
1-amino-2-cyclohexyl-3-(4-fluoro-2-methylphenyl)guanidine
CID 116512508
N-[1-(3-fluorophenyl)ethyl]cyclopropanecarboxamide
CID 60630491
2-(cyclopentylamino)-N-[(1S)-1-(3-fluorophenyl)ethyl]acetamide
CID 81366185
N-[(1R)-1-(3-fluorophenyl)ethyl]azepane-2-carboxamide
CID 81365964
2-amino-N-[(1S)-1-(3-fluorophenyl)ethyl]cyclopentane-1-carboxamide
CID 81366049
1-amino-3-(2-bromo-4-fluorophenyl)-2-cyclohexylguanidine
CID 116512701
1-[1-(3-fluorophenyl)ethyl]-3-propan-2-ylurea
CID 47015065

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-cyclohexyl-3-[1-(3-fluorophenyl)ethyl]guanidine?
The IUPAC name of 1-amino-2-cyclohexyl-3-[1-(3-fluorophenyl)ethyl]guanidine (CID 116514408) is 1-amino-2-cyclohexyl-3-[1-(3-fluorophenyl)ethyl]guanidine.
What is the SMILES notation for 1-amino-2-cyclohexyl-3-[1-(3-fluorophenyl)ethyl]guanidine?
The canonical SMILES for 1-amino-2-cyclohexyl-3-[1-(3-fluorophenyl)ethyl]guanidine is CC(N/C(=N/C1CCCCC1)NN)c1cccc(F)c1.
What is the InChIKey of 1-amino-2-cyclohexyl-3-[1-(3-fluorophenyl)ethyl]guanidine?
The InChIKey is LENWYDSIZJIHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN4/c1-11(12-6-5-7-13(16)10-12)18-15(20-17)19-14-8-3-2-4-9-14/h5-7,10-11,14H,2-4,8-9,17H2,1H3,(H2,18,19,20).
What are the key properties of 1-amino-2-cyclohexyl-3-[1-(3-fluorophenyl)ethyl]guanidine?
1-amino-2-cyclohexyl-3-[1-(3-fluorophenyl)ethyl]guanidine has a molecular weight of 278.37 g/mol, XLogP of 2.63, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-cyclohexyl-3-[1-(3-fluorophenyl)ethyl]guanidine is sourced from PubChem (CID 116514408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).