1-amino-2-cyclohexyl-3-(3-fluoro-5-methylphenyl)guanidine

C14H21FN4 — CID 116515705

IUPAC1-amino-2-cyclohexyl-3-(3-fluoro-5-methylphenyl)guanidine
SMILESCc1cc(F)cc(N/C(=N/C2CCCCC2)NN)c1
InChIInChI=1S/C14H21FN4/c1-10-7-11(15)9-13(8-10)18-14(19-16)17-12-5-3-2-4-6-12/h7-9,12H,2-6,16H2,1H3,(H2,17,18,19)
InChIKeyDNTKYBFPWXADSP-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.70
Rot. Bonds2

About 1-amino-2-cyclohexyl-3-(3-fluoro-5-methylphenyl)guanidine

1-amino-2-cyclohexyl-3-(3-fluoro-5-methylphenyl)guanidine (PubChem CID 116515705) has the molecular formula C14H21FN4 and a molecular weight of 264.35 g/mol. Its IUPAC name is 1-amino-2-cyclohexyl-3-(3-fluoro-5-methylphenyl)guanidine.

Molecular Properties

Compound Name1-amino-2-cyclohexyl-3-(3-fluoro-5-methylphenyl)guanidine
PubChem CID116515705
Molecular FormulaC14H21FN4
Molecular Weight264.35 g/mol
Exact Mass264.18
IUPAC Name1-amino-2-cyclohexyl-3-(3-fluoro-5-methylphenyl)guanidine
SMILESCc1cc(F)cc(N/C(=N/C2CCCCC2)NN)c1
InChIInChI=1S/C14H21FN4/c1-10-7-11(15)9-13(8-10)18-14(19-16)17-12-5-3-2-4-6-12/h7-9,12H,2-6,16H2,1H3,(H2,17,18,19)
InChIKeyDNTKYBFPWXADSP-UHFFFAOYSA-N
XLogP2.70
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.70
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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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-cyclohexyl-3-(3-fluoro-5-methylphenyl)guanidine?
The IUPAC name of 1-amino-2-cyclohexyl-3-(3-fluoro-5-methylphenyl)guanidine (CID 116515705) is 1-amino-2-cyclohexyl-3-(3-fluoro-5-methylphenyl)guanidine.
What is the SMILES notation for 1-amino-2-cyclohexyl-3-(3-fluoro-5-methylphenyl)guanidine?
The canonical SMILES for 1-amino-2-cyclohexyl-3-(3-fluoro-5-methylphenyl)guanidine is Cc1cc(F)cc(N/C(=N/C2CCCCC2)NN)c1.
What is the InChIKey of 1-amino-2-cyclohexyl-3-(3-fluoro-5-methylphenyl)guanidine?
The InChIKey is DNTKYBFPWXADSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN4/c1-10-7-11(15)9-13(8-10)18-14(19-16)17-12-5-3-2-4-6-12/h7-9,12H,2-6,16H2,1H3,(H2,17,18,19).
What are the key properties of 1-amino-2-cyclohexyl-3-(3-fluoro-5-methylphenyl)guanidine?
1-amino-2-cyclohexyl-3-(3-fluoro-5-methylphenyl)guanidine has a molecular weight of 264.35 g/mol, XLogP of 2.70, 2 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-(3-fluoro-5-methylphenyl)guanidine is sourced from PubChem (CID 116515705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).