2-cyclohexyl-1-(2-methylphenyl)guanidine;guanidine

C15H26N6 — CID 67865852

IUPAC2-cyclohexyl-1-(2-methylphenyl)guanidine;guanidine
SMILESCc1ccccc1N/C(N)=N/C1CCCCC1.[H]N=C(N)N
InChIInChI=1S/C14H21N3.CH5N3/c1-11-7-5-6-10-13(11)17-14(15)16-12-8-3-2-4-9-12;2-1(3)4/h5-7,10,12H,2-4,8-9H2,1H3,(H3,15,16,17);(H5,2,3,4)
InChIKeyDSJKGFAKAAGAMA-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.89
Rot. Bonds2

About 2-cyclohexyl-1-(2-methylphenyl)guanidine;guanidine

2-cyclohexyl-1-(2-methylphenyl)guanidine;guanidine (PubChem CID 67865852) has the molecular formula C15H26N6 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-cyclohexyl-1-(2-methylphenyl)guanidine;guanidine.

Molecular Properties

Compound Name2-cyclohexyl-1-(2-methylphenyl)guanidine;guanidine
PubChem CID67865852
Molecular FormulaC15H26N6
Molecular Weight290.41 g/mol
Exact Mass290.22
IUPAC Name2-cyclohexyl-1-(2-methylphenyl)guanidine;guanidine
SMILESCc1ccccc1N/C(N)=N/C1CCCCC1.[H]N=C(N)N
InChIInChI=1S/C14H21N3.CH5N3/c1-11-7-5-6-10-13(11)17-14(15)16-12-8-3-2-4-9-12;2-1(3)4/h5-7,10,12H,2-4,8-9H2,1H3,(H3,15,16,17);(H5,2,3,4)
InChIKeyDSJKGFAKAAGAMA-UHFFFAOYSA-N
XLogP1.89
TPSA126.30 Ų
H-Bond Donors5
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.89
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 102

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-cyclohexyl-1-phenylguanidine
CID 10900077
N'-cyclohexyl-N-(2-methylphenyl)thiophene-2-carboximidamide
CID 3165867
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-1-(2-methylphenyl)guanidine
CID 124918230
1-(2-chlorophenyl)-2-cyclopropylguanidine
CID 62378718
2-cyclobutyl-1-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]guanidine;hydrochloride
CID 45263045
(1E)-1-[amino-(2,6-dimethylanilino)methylidene]-2-cyclopentylguanidine
CID 88752390
2-cyclopropyl-1-[2-(trifluoromethyl)phenyl]guanidine
CID 62381437
(1R,6S)-N-(2-methylphenyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 796671
2-cyclohexyl-1-ethyl-1-(2-methylphenyl)guanidine
CID 62362485
2-cyclohexyl-1-(4-phenylbutan-2-yl)guanidine
CID 62369558
1-cyclododecyl-3-(2-methylphenyl)thiourea
CID 19652468
2-cyclobutyl-1-(4-ethylphenyl)guanidine
CID 119146745

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-(2-methylphenyl)guanidine;guanidine?
The IUPAC name of 2-cyclohexyl-1-(2-methylphenyl)guanidine;guanidine (CID 67865852) is 2-cyclohexyl-1-(2-methylphenyl)guanidine;guanidine.
What is the SMILES notation for 2-cyclohexyl-1-(2-methylphenyl)guanidine;guanidine?
The canonical SMILES for 2-cyclohexyl-1-(2-methylphenyl)guanidine;guanidine is Cc1ccccc1N/C(N)=N/C1CCCCC1.[H]N=C(N)N.
What is the InChIKey of 2-cyclohexyl-1-(2-methylphenyl)guanidine;guanidine?
The InChIKey is DSJKGFAKAAGAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3.CH5N3/c1-11-7-5-6-10-13(11)17-14(15)16-12-8-3-2-4-9-12;2-1(3)4/h5-7,10,12H,2-4,8-9H2,1H3,(H3,15,16,17);(H5,2,3,4).
What are the key properties of 2-cyclohexyl-1-(2-methylphenyl)guanidine;guanidine?
2-cyclohexyl-1-(2-methylphenyl)guanidine;guanidine has a molecular weight of 290.41 g/mol, XLogP of 1.89, 2 rotatable bonds, 5 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-(2-methylphenyl)guanidine;guanidine is sourced from PubChem (CID 67865852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).