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

C14H21N3 — CID 14771694

IUPAC2-cyclohexyl-1-(2-methylphenyl)guanidine
SMILESCc1ccccc1N/C(N)=N/C1CCCCC1
InChIInChI=1S/C14H21N3/c1-11-7-5-6-10-13(11)17-14(15)16-12-8-3-2-4-9-12/h5-7,10,12H,2-4,8-9H2,1H3,(H3,15,16,17)
InChIKeyIPPGIHDJCAGMHJ-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.05
Rot. Bonds2

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

2-cyclohexyl-1-(2-methylphenyl)guanidine (PubChem CID 14771694) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-cyclohexyl-1-(2-methylphenyl)guanidine.

Molecular Properties

Compound Name2-cyclohexyl-1-(2-methylphenyl)guanidine
PubChem CID14771694
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name2-cyclohexyl-1-(2-methylphenyl)guanidine
SMILESCc1ccccc1N/C(N)=N/C1CCCCC1
InChIInChI=1S/C14H21N3/c1-11-7-5-6-10-13(11)17-14(15)16-12-8-3-2-4-9-12/h5-7,10,12H,2-4,8-9H2,1H3,(H3,15,16,17)
InChIKeyIPPGIHDJCAGMHJ-UHFFFAOYSA-N
XLogP3.05
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.05
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-(2-methylphenyl)guanidine?
The IUPAC name of 2-cyclohexyl-1-(2-methylphenyl)guanidine (CID 14771694) is 2-cyclohexyl-1-(2-methylphenyl)guanidine.
What is the SMILES notation for 2-cyclohexyl-1-(2-methylphenyl)guanidine?
The canonical SMILES for 2-cyclohexyl-1-(2-methylphenyl)guanidine is Cc1ccccc1N/C(N)=N/C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-1-(2-methylphenyl)guanidine?
The InChIKey is IPPGIHDJCAGMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-11-7-5-6-10-13(11)17-14(15)16-12-8-3-2-4-9-12/h5-7,10,12H,2-4,8-9H2,1H3,(H3,15,16,17).
What are the key properties of 2-cyclohexyl-1-(2-methylphenyl)guanidine?
2-cyclohexyl-1-(2-methylphenyl)guanidine has a molecular weight of 231.34 g/mol, XLogP of 3.05, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-(2-methylphenyl)guanidine is sourced from PubChem (CID 14771694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).