N-amino-4-bromo-N'-cyclohexylbenzenecarboximidamide

C13H18BrN3 — CID 61363305

IUPACN-amino-4-bromo-N'-cyclohexylbenzenecarboximidamide
SMILESNN/C(=N\C1CCCCC1)c1ccc(Br)cc1
InChIInChI=1S/C13H18BrN3/c14-11-8-6-10(7-9-11)13(17-15)16-12-4-2-1-3-5-12/h6-9,12H,1-5,15H2,(H,16,17)
InChIKeyZYAZXGYNCPXQKY-UHFFFAOYSA-N
MW296.21 g/mol
LogP2.99
Rot. Bonds2

About N-amino-4-bromo-N'-cyclohexylbenzenecarboximidamide

N-amino-4-bromo-N'-cyclohexylbenzenecarboximidamide (PubChem CID 61363305) has the molecular formula C13H18BrN3 and a molecular weight of 296.21 g/mol. Its IUPAC name is N-amino-4-bromo-N'-cyclohexylbenzenecarboximidamide.

Molecular Properties

Compound NameN-amino-4-bromo-N'-cyclohexylbenzenecarboximidamide
PubChem CID61363305
Molecular FormulaC13H18BrN3
Molecular Weight296.21 g/mol
Exact Mass295.07
IUPAC NameN-amino-4-bromo-N'-cyclohexylbenzenecarboximidamide
SMILESNN/C(=N\C1CCCCC1)c1ccc(Br)cc1
InChIInChI=1S/C13H18BrN3/c14-11-8-6-10(7-9-11)13(17-15)16-12-4-2-1-3-5-12/h6-9,12H,1-5,15H2,(H,16,17)
InChIKeyZYAZXGYNCPXQKY-UHFFFAOYSA-N
XLogP2.99
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 52.99
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-4-bromo-N'-cyclohexylbenzenecarboximidamide?
The IUPAC name of N-amino-4-bromo-N'-cyclohexylbenzenecarboximidamide (CID 61363305) is N-amino-4-bromo-N'-cyclohexylbenzenecarboximidamide.
What is the SMILES notation for N-amino-4-bromo-N'-cyclohexylbenzenecarboximidamide?
The canonical SMILES for N-amino-4-bromo-N'-cyclohexylbenzenecarboximidamide is NN/C(=N\C1CCCCC1)c1ccc(Br)cc1.
What is the InChIKey of N-amino-4-bromo-N'-cyclohexylbenzenecarboximidamide?
The InChIKey is ZYAZXGYNCPXQKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3/c14-11-8-6-10(7-9-11)13(17-15)16-12-4-2-1-3-5-12/h6-9,12H,1-5,15H2,(H,16,17).
What are the key properties of N-amino-4-bromo-N'-cyclohexylbenzenecarboximidamide?
N-amino-4-bromo-N'-cyclohexylbenzenecarboximidamide has a molecular weight of 296.21 g/mol, XLogP of 2.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-4-bromo-N'-cyclohexylbenzenecarboximidamide is sourced from PubChem (CID 61363305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).