4-chloro-N-cyclohexyl-N'-methylbenzenecarboximidamide;hydrochloride

C14H20Cl2N2 — CID 15945810

IUPAC4-chloro-N-cyclohexyl-N'-methylbenzenecarboximidamide;hydrochloride
SMILESC/N=C(/NC1CCCCC1)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C14H19ClN2.ClH/c1-16-14(11-7-9-12(15)10-8-11)17-13-5-3-2-4-6-13;/h7-10,13H,2-6H2,1H3,(H,16,17);1H
InChIKeyHRTFWAJZYIDAMR-UHFFFAOYSA-N
MW287.23 g/mol
LogP4.06
Rot. Bonds2

About 4-chloro-N-cyclohexyl-N'-methylbenzenecarboximidamide;hydrochloride

4-chloro-N-cyclohexyl-N'-methylbenzenecarboximidamide;hydrochloride (PubChem CID 15945810) has the molecular formula C14H20Cl2N2 and a molecular weight of 287.23 g/mol. Its IUPAC name is 4-chloro-N-cyclohexyl-N'-methylbenzenecarboximidamide;hydrochloride.

Molecular Properties

Compound Name4-chloro-N-cyclohexyl-N'-methylbenzenecarboximidamide;hydrochloride
PubChem CID15945810
Molecular FormulaC14H20Cl2N2
Molecular Weight287.23 g/mol
Exact Mass286.10
IUPAC Name4-chloro-N-cyclohexyl-N'-methylbenzenecarboximidamide;hydrochloride
SMILESC/N=C(/NC1CCCCC1)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C14H19ClN2.ClH/c1-16-14(11-7-9-12(15)10-8-11)17-13-5-3-2-4-6-13;/h7-10,13H,2-6H2,1H3,(H,16,17);1H
InChIKeyHRTFWAJZYIDAMR-UHFFFAOYSA-N
XLogP4.06
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.23
LogP ≤ 54.06
H-Bond Donors ≤ 51
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

2-(4-chlorophenyl)-4,5-dihydro-1H-imidazole
CID 279088
2-(4-chlorophenyl)-4,5-dihydro-1H-imidazole hydrochloride
CID 2945131
4-Chloro-N-(3-chloro-benzyl)-benzamidine
CID 20706433
4-Chloro-N,N'-dimethylbenzene-1-carboximidamide--hydrogen chloride (1/1)
CID 3027144
2-(2,4-Dichlorophenyl)-4,5-dihydro-1H-imidazole
CID 12341497
(4s,5r)-4,5-Bis(4-Chlorophenyl)-2-Methyl-4,5-Dihydro-1h-Imidazole
CID 71816470
N-benzyl-4-chlorobenzenecarboximidamide
CID 2806914
4-chloro-N'-cyclohexylbenzenecarboximidamide;hydrochloride
CID 2945295
(4R,5S)-2-[2-(4-chlorophenyl)ethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
CID 44388827
(4R,5S)-2,4,5-tris(4-chlorophenyl)-4,5-dihydro-1H-imidazole
CID 12980493
1-[(2,4-dichlorophenyl)methyl]-2-(4,5-dihydro-1H-imidazol-2-yl)-4-methylpiperazine
CID 9797434
2-(2-chlorophenyl)-4,5-dihydro-1H-imidazole
CID 3753467

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cyclohexyl-N'-methylbenzenecarboximidamide;hydrochloride?
The IUPAC name of 4-chloro-N-cyclohexyl-N'-methylbenzenecarboximidamide;hydrochloride (CID 15945810) is 4-chloro-N-cyclohexyl-N'-methylbenzenecarboximidamide;hydrochloride.
What is the SMILES notation for 4-chloro-N-cyclohexyl-N'-methylbenzenecarboximidamide;hydrochloride?
The canonical SMILES for 4-chloro-N-cyclohexyl-N'-methylbenzenecarboximidamide;hydrochloride is C/N=C(/NC1CCCCC1)c1ccc(Cl)cc1.Cl.
What is the InChIKey of 4-chloro-N-cyclohexyl-N'-methylbenzenecarboximidamide;hydrochloride?
The InChIKey is HRTFWAJZYIDAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2.ClH/c1-16-14(11-7-9-12(15)10-8-11)17-13-5-3-2-4-6-13;/h7-10,13H,2-6H2,1H3,(H,16,17);1H.
What are the key properties of 4-chloro-N-cyclohexyl-N'-methylbenzenecarboximidamide;hydrochloride?
4-chloro-N-cyclohexyl-N'-methylbenzenecarboximidamide;hydrochloride has a molecular weight of 287.23 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-cyclohexyl-N'-methylbenzenecarboximidamide;hydrochloride is sourced from PubChem (CID 15945810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).