4-(cyclohexylamino)benzenecarboximidamide

C13H19N3 — CID 54550444

IUPAC4-(cyclohexylamino)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(NC2CCCCC2)cc1
InChIInChI=1S/C13H19N3/c14-13(15)10-6-8-12(9-7-10)16-11-4-2-1-3-5-11/h6-9,11,16H,1-5H2,(H3,14,15)
InChIKeyLWKCNFXSXYUCRX-UHFFFAOYSA-N
MW217.32 g/mol
LogP2.72
Rot. Bonds3

About 4-(cyclohexylamino)benzenecarboximidamide

4-(cyclohexylamino)benzenecarboximidamide (PubChem CID 54550444) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 4-(cyclohexylamino)benzenecarboximidamide.

Molecular Properties

Compound Name4-(cyclohexylamino)benzenecarboximidamide
PubChem CID54550444
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name4-(cyclohexylamino)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(NC2CCCCC2)cc1
InChIInChI=1S/C13H19N3/c14-13(15)10-6-8-12(9-7-10)16-11-4-2-1-3-5-11/h6-9,11,16H,1-5H2,(H3,14,15)
InChIKeyLWKCNFXSXYUCRX-UHFFFAOYSA-N
XLogP2.72
TPSA61.90 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 4-(cyclohexylamino)benzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(cyclopentylamino)-3-fluorobenzenecarboximidamide;hydrochloride
CID 82253246
4-(cyclobutylamino)benzenecarbothioamide
CID 62415187
[4-(cyclopentylamino)phenyl]urea
CID 43744886
4-(cyclohexylsulfanylmethyl)benzenecarboximidamide
CID 60884513
4-(cyclopropylamino)benzamide
CID 103605968
4-[7-(4-carbamimidoylanilino)heptylamino]benzenecarboximidamide
CID 122182389
4-[2-(4-carbamimidoylanilino)ethylamino]benzenecarboximidamide;dihydrochloride
CID 46837859
4-(cyclopropylmethylsulfonylamino)benzenecarboximidamide
CID 64989100
6-(dicyclohexylamino)pyridine-3-carboximidamide
CID 43823179
6-cyclohexylsulfanylpyridine-3-carboximidamide
CID 60887032
4-[(3-aminocyclohexyl)amino]benzamide
CID 79458720
4-(cyclohexylamino)-N-ethylbenzamide
CID 43728555

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylamino)benzenecarboximidamide?
The IUPAC name of 4-(cyclohexylamino)benzenecarboximidamide (CID 54550444) is 4-(cyclohexylamino)benzenecarboximidamide.
What is the SMILES notation for 4-(cyclohexylamino)benzenecarboximidamide?
The canonical SMILES for 4-(cyclohexylamino)benzenecarboximidamide is [H]/N=C(\N)c1ccc(NC2CCCCC2)cc1.
What is the InChIKey of 4-(cyclohexylamino)benzenecarboximidamide?
The InChIKey is LWKCNFXSXYUCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c14-13(15)10-6-8-12(9-7-10)16-11-4-2-1-3-5-11/h6-9,11,16H,1-5H2,(H3,14,15).
What are the key properties of 4-(cyclohexylamino)benzenecarboximidamide?
4-(cyclohexylamino)benzenecarboximidamide has a molecular weight of 217.32 g/mol, XLogP of 2.72, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylamino)benzenecarboximidamide is sourced from PubChem (CID 54550444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).