N-benzylidene-N'-cyclohexylbenzenecarboximidamide

C20H22N2 — CID 102469075

IUPACN-benzylidene-N'-cyclohexylbenzenecarboximidamide
SMILESC(=N/C(=N\C1CCCCC1)c1ccccc1)\c1ccccc1
InChIInChI=1S/C20H22N2/c1-4-10-17(11-5-1)16-21-20(18-12-6-2-7-13-18)22-19-14-8-3-9-15-19/h1-2,4-7,10-13,16,19H,3,8-9,14-15H2/b21-16+,22-20-
InChIKeyVGVXBZOQCQIVQX-HALTTXAASA-N
MW290.41 g/mol
LogP4.89
Rot. Bonds3

About N-benzylidene-N'-cyclohexylbenzenecarboximidamide

N-benzylidene-N'-cyclohexylbenzenecarboximidamide (PubChem CID 102469075) has the molecular formula C20H22N2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-benzylidene-N'-cyclohexylbenzenecarboximidamide.

Molecular Properties

Compound NameN-benzylidene-N'-cyclohexylbenzenecarboximidamide
PubChem CID102469075
Molecular FormulaC20H22N2
Molecular Weight290.41 g/mol
Exact Mass290.18
IUPAC NameN-benzylidene-N'-cyclohexylbenzenecarboximidamide
SMILESC(=N/C(=N\C1CCCCC1)c1ccccc1)\c1ccccc1
InChIInChI=1S/C20H22N2/c1-4-10-17(11-5-1)16-21-20(18-12-6-2-7-13-18)22-19-14-8-3-9-15-19/h1-2,4-7,10-13,16,19H,3,8-9,14-15H2/b21-16+,22-20-
InChIKeyVGVXBZOQCQIVQX-HALTTXAASA-N
XLogP4.89
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(benzylideneamino) N,N'-dicyclohexylcarbamimidate
CID 91602803
2-bromo-N-cyclohexyl-1-phenylpropan-1-imine
CID 11087669
N'-cyclopropylbenzenecarboximidamide
CID 12916005
2-cyclohexyl-1-(diaminomethylidene)-3-(2-phenylethenyl)guanidine;hydrochloride
CID 174673014
(1R)-2-(benzylideneamino)cyclohexan-1-ol
CID 67149914
[N-cyclohexyl-C-[(E)-2-phenylethenyl]carbonimidoyl]urea
CID 13209275
N-(4-bromophenyl)-N'-cyclohexylbenzenecarboximidamide
CID 3043201
N-cyclohexyl-2-fluoro-1-phenylbutan-1-imine
CID 11983653
trans-(1R,2R)-2-[[(E)-benzylideneamino]-methylamino]cyclohexan-1-ol
CID 10421471
N-cyclohexyl-1-(2-diphenylphosphanylphenyl)methanimine
CID 11280187
2-cyclohexyl-1-phenylguanidine
CID 10900077
N-cyclopropylbenzenecarboximidoyl chloride
CID 7130957

Frequently Asked Questions

What is the IUPAC name of N-benzylidene-N'-cyclohexylbenzenecarboximidamide?
The IUPAC name of N-benzylidene-N'-cyclohexylbenzenecarboximidamide (CID 102469075) is N-benzylidene-N'-cyclohexylbenzenecarboximidamide.
What is the SMILES notation for N-benzylidene-N'-cyclohexylbenzenecarboximidamide?
The canonical SMILES for N-benzylidene-N'-cyclohexylbenzenecarboximidamide is C(=N/C(=N\C1CCCCC1)c1ccccc1)\c1ccccc1.
What is the InChIKey of N-benzylidene-N'-cyclohexylbenzenecarboximidamide?
The InChIKey is VGVXBZOQCQIVQX-HALTTXAASA-N. The full InChI is InChI=1S/C20H22N2/c1-4-10-17(11-5-1)16-21-20(18-12-6-2-7-13-18)22-19-14-8-3-9-15-19/h1-2,4-7,10-13,16,19H,3,8-9,14-15H2/b21-16+,22-20-.
What are the key properties of N-benzylidene-N'-cyclohexylbenzenecarboximidamide?
N-benzylidene-N'-cyclohexylbenzenecarboximidamide has a molecular weight of 290.41 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzylidene-N'-cyclohexylbenzenecarboximidamide is sourced from PubChem (CID 102469075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).