N-amino-N'-cyclohexyl-3-fluorobenzenecarboximidamide

C13H18FN3 — CID 61360518

IUPACN-amino-N'-cyclohexyl-3-fluorobenzenecarboximidamide
SMILESNN/C(=N\C1CCCCC1)c1cccc(F)c1
InChIInChI=1S/C13H18FN3/c14-11-6-4-5-10(9-11)13(17-15)16-12-7-2-1-3-8-12/h4-6,9,12H,1-3,7-8,15H2,(H,16,17)
InChIKeyUATITPWIEGCPOE-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.37
Rot. Bonds2

About N-amino-N'-cyclohexyl-3-fluorobenzenecarboximidamide

N-amino-N'-cyclohexyl-3-fluorobenzenecarboximidamide (PubChem CID 61360518) has the molecular formula C13H18FN3 and a molecular weight of 235.31 g/mol. Its IUPAC name is N-amino-N'-cyclohexyl-3-fluorobenzenecarboximidamide.

Molecular Properties

Compound NameN-amino-N'-cyclohexyl-3-fluorobenzenecarboximidamide
PubChem CID61360518
Molecular FormulaC13H18FN3
Molecular Weight235.31 g/mol
Exact Mass235.15
IUPAC NameN-amino-N'-cyclohexyl-3-fluorobenzenecarboximidamide
SMILESNN/C(=N\C1CCCCC1)c1cccc(F)c1
InChIInChI=1S/C13H18FN3/c14-11-6-4-5-10(9-11)13(17-15)16-12-7-2-1-3-8-12/h4-6,9,12H,1-3,7-8,15H2,(H,16,17)
InChIKeyUATITPWIEGCPOE-UHFFFAOYSA-N
XLogP2.37
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.37
H-Bond Donors ≤ 52
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 N-amino-N'-cyclohexyl-3-fluorobenzenecarboximidamide?
The IUPAC name of N-amino-N'-cyclohexyl-3-fluorobenzenecarboximidamide (CID 61360518) is N-amino-N'-cyclohexyl-3-fluorobenzenecarboximidamide.
What is the SMILES notation for N-amino-N'-cyclohexyl-3-fluorobenzenecarboximidamide?
The canonical SMILES for N-amino-N'-cyclohexyl-3-fluorobenzenecarboximidamide is NN/C(=N\C1CCCCC1)c1cccc(F)c1.
What is the InChIKey of N-amino-N'-cyclohexyl-3-fluorobenzenecarboximidamide?
The InChIKey is UATITPWIEGCPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3/c14-11-6-4-5-10(9-11)13(17-15)16-12-7-2-1-3-8-12/h4-6,9,12H,1-3,7-8,15H2,(H,16,17).
What are the key properties of N-amino-N'-cyclohexyl-3-fluorobenzenecarboximidamide?
N-amino-N'-cyclohexyl-3-fluorobenzenecarboximidamide has a molecular weight of 235.31 g/mol, XLogP of 2.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-cyclohexyl-3-fluorobenzenecarboximidamide is sourced from PubChem (CID 61360518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).