1-cyano-1-(4-cyanophenyl)-2-cyclohexylguanidine

C15H17N5 — CID 154480056

IUPAC1-cyano-1-(4-cyanophenyl)-2-cyclohexylguanidine
SMILESN#Cc1ccc(N(C#N)/C(N)=N/C2CCCCC2)cc1
InChIInChI=1S/C15H17N5/c16-10-12-6-8-14(9-7-12)20(11-17)15(18)19-13-4-2-1-3-5-13/h6-9,13H,1-5H2,(H2,18,19)
InChIKeyYDOKNJDZKNELQV-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.49
Rot. Bonds2

About 1-cyano-1-(4-cyanophenyl)-2-cyclohexylguanidine

1-cyano-1-(4-cyanophenyl)-2-cyclohexylguanidine (PubChem CID 154480056) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is 1-cyano-1-(4-cyanophenyl)-2-cyclohexylguanidine.

Molecular Properties

Compound Name1-cyano-1-(4-cyanophenyl)-2-cyclohexylguanidine
PubChem CID154480056
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC Name1-cyano-1-(4-cyanophenyl)-2-cyclohexylguanidine
SMILESN#Cc1ccc(N(C#N)/C(N)=N/C2CCCCC2)cc1
InChIInChI=1S/C15H17N5/c16-10-12-6-8-14(9-7-12)20(11-17)15(18)19-13-4-2-1-3-5-13/h6-9,13H,1-5H2,(H2,18,19)
InChIKeyYDOKNJDZKNELQV-UHFFFAOYSA-N
XLogP2.49
TPSA89.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-(4-cyanophenyl)-1-cyclopentylurea
CID 90850175
5-(aminomethyl)-N-(4-cyanophenyl)-N'-cyclooctyltetrazole-2-carboximidamide
CID 67869695
4-[(2-hydroxycyclohexyl)-methylamino]benzonitrile
CID 62983263
2-amino-1-(4-cyanophenyl)-1-methylguanidine
CID 77054083
1-(4-cyanophenyl)-3-cyclohexyl-1-methylurea
CID 62981204
[(N-(N'-cyclohexylcarbamimidoyl)-4-nitroanilino)-(dimethylamino)methylidene]-dimethylazanium
CID 122701012
4-[cyclohexyl(hydroxy)methyl]benzonitrile
CID 11830850
N-(4-cyanophenyl)-2-cyclopentyl-N-methylacetamide
CID 55141963
4-(1-cyclohexyl-2-hydroxypropan-2-yl)benzonitrile
CID 113318956
4-[(2-hydroxycyclohexyl)amino]benzonitrile
CID 60884623
cyclopentanol;4-methylbenzonitrile
CID 144616073
4-dicyclohexylphosphanylbenzonitrile
CID 101195782

Frequently Asked Questions

What is the IUPAC name of 1-cyano-1-(4-cyanophenyl)-2-cyclohexylguanidine?
The IUPAC name of 1-cyano-1-(4-cyanophenyl)-2-cyclohexylguanidine (CID 154480056) is 1-cyano-1-(4-cyanophenyl)-2-cyclohexylguanidine.
What is the SMILES notation for 1-cyano-1-(4-cyanophenyl)-2-cyclohexylguanidine?
The canonical SMILES for 1-cyano-1-(4-cyanophenyl)-2-cyclohexylguanidine is N#Cc1ccc(N(C#N)/C(N)=N/C2CCCCC2)cc1.
What is the InChIKey of 1-cyano-1-(4-cyanophenyl)-2-cyclohexylguanidine?
The InChIKey is YDOKNJDZKNELQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c16-10-12-6-8-14(9-7-12)20(11-17)15(18)19-13-4-2-1-3-5-13/h6-9,13H,1-5H2,(H2,18,19).
What are the key properties of 1-cyano-1-(4-cyanophenyl)-2-cyclohexylguanidine?
1-cyano-1-(4-cyanophenyl)-2-cyclohexylguanidine has a molecular weight of 267.34 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-1-(4-cyanophenyl)-2-cyclohexylguanidine is sourced from PubChem (CID 154480056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).